Publications

2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013-2008

2022

Efficient Magnus-type integrators for solar energy conversion in Hubbard models
W. Auzinger, J. Dubois, K. Held, H. Hofstätter, T. Jawecki, A. Kauch, O. Koch, K. Kropielnicka, P. Singh; C. Watzenböck
J. Comp. Math. Data Science 2, 100018 , opens an external URL in a new window ©2022 The Author(s)
Magnus

Explaining the pseudogap through damping and antidamping on the Fermi surface by imaginary spin scattering
Friedrich Krien, Paul Worm, Patrick Chalupa-Gantner, Aalessandro Toschi, Karsten Held
Communications Physics 5 , opens an external URL in a new window ©2022 The Author(s)
Eco3P, VeCoCo

Supraleitung in der Nickelzeit
Karsten Held, Oleg Janson, Lian Si
Physik Journal 21, 2 (2022) , opens an external URL in a new window (access restricted)

ana_cont: Python package for analytic continuation
Josef Kaufmann, Karsten Held
Comput Phys Commun. 282, 108519 (2022) , opens an external URL in a new window ©2022 The Author(s)
Eco3P, Magnus, VSC

Photoexcitations in the Hubbard model: Generalized Loschmidt amplitude analysis of impact ionization in small clusters
Clemens Watzenböck, Markus Wallerberger, Laurenz Ruzicka, Paul Worm, Karsten Held, Anna Kauch
Phys. Rev. B 106, 085135 (2022) , opens an external URL in a new window ©2022 American Physical Society
Magnus, VSC

Strongly correlated superconductivity with long-range spatial fluctuations
Motoharu Kitatani, Ryotaro Arita, Thomas Schäfer, Karsten Held
J. Phys. Mater. 5, 034005 (2022) , opens an external URL in a new window © 2022 The Author(s)
ECo3P

Long-term memory magnetic correlations in the Hubbard model: A dynamical mean-field theory analysis
Clemens Watzenböck, Martina Fellinger, Karsten Held, Alessandro Toschi
SciPost Phys. 12, 184 (2022) , opens an external URL in a new window ©2022 SciPost
Eco3P, Magnus, VSC

Fingerprints of Topotactic Hydrogen in Nickelate Superconductors
Liang Si, Paul Worm, Karsten Held
Crystals 12(5), 656 (2022), opens an external URL in a new window© 2022 The Author(s)
ECo3P

Phase Diagram of Nickelate Superconductors Calculated by Dynamical Vertex Approximation
K. Held, L. Si, P. Worm, O. Janson, R. Arita, Z. Zhong, J.M. Tomczak, M. Kitatani
Front. Phys. 9 , 810394 (2022) , opens an external URL in a new window © 2022 The Author(s)
Eco3P, Magnus, VSC

Hidden one-dimensional, strongly nested, and almost half-filled Fermi surface in Ba2CuO3+y superconductors
Paul Worm, Motoharu Kitatani, Jan M. Tomczak, Liang Si, Karsten Held
Phys. Rev. B 105, 085110 (2022) , opens an external URL in a new window ©2022 American Physical Society
Eco3P, VSC

Density matrix of electrons coupled to Einstein phonons and the electron-phonon entanglement content of excited states
Gergö Roósz, Karsten Held
Phys. Rev. B 106, 195404 (2022) , opens an external URL in a new window ©2022 American Physical Society
QM&S

Origin of the background absorption in carbon nanotubes: Phonon-assisted excitonic continuum
Stefano Dal Forno, Natsumi Komatsu, Michael Wais, Ali Mojibpour, Indrajit Wadgaonkar, Saunab Ghosh, Yohei Yomogida, Kazuhiro Yanagi, Karsten Held, Junichiro Kono, Marco Battiato
Carbon 186, 465 (2022) , opens an external URL in a new window © 2021 Elsevier Ltd.

Correlations tune the electronic structure of pentalayer nickelates into the superconducting regime
Paul Worm, Liang Si, Motoharu Kitatani, Ryotaro Arita, Jan M. Tomczak, Karsten Held
Phys. Rev. Materials 6, L091801 (2022) , opens an external URL in a new window ©2022 American Physical Society
Eco3P, Magnus, VSC

Particle-hole asymmetric lifetimes promoted by nonlocal spin and orbital fluctuations in SrVO3 monolayers
Matthias Pickem, Jan M. Tomczak, Karsten Held
Phys. Rev. Research 4, 033253 (2022) , opens an external URL in a new window ©2022 American Physical Society
Eco3P, VSC

Trie-based ranking of quantum many-body states
Markus Wallerberger, Karsten Held
Phys. Rev. Research 4, 033238 (2022) , opens an external URL in a new window ©2022 American Physical Society
Eco3P, Magnus

Beyond DMFT: Spin Fluctuations, Pseudogaps and Superconductivity
Karsten Held
Dynamical Mean-Field Theory of Correlated Electrons Modeling and Simulation 12 (2022) , opens an external URL in a new window ©2022 Forschungszentrum Jülich
QUAST

2021

Toward Functionalized Ultrathin Oxide Films: The Impact of Surface Apical Oxygen
J. Gabel, M. Pickem, P. Scheiderer, L. Dudy, B. Leikert, M. Fuchs, M. Stübinger, M. Schmitt, J. Küspert, G. Sangiovanni, J. M. Tomczak, K. Held, T.-L. Lee, R. Claessen, M. Sing
Adv. Electron. Mater. 2021, 2101006 (2021) , opens an external URL in a new window ©2021 Wiley-VCH GmbH
Magnus, VeCoCo, ECo3P, LinReTraCe, vsc

Efficient Magnus-type integrators for solar energy conversion in Hubbard models
Winfried Auzinger, Juliette Dubois, Karsten Held, Harald Hofstätter,Tobias Jawecki, Anna Kauch, Othmar Koch, Karolina Kropielnicka, Pranav Singh, Clemens Watzenböck
JCMDS 100018 (2021) , opens an external URL in a new window ©2021 Elsevier B.V.
Magnus, vsc

Large phonon drag thermopower boosted by massive electrons and phonon leaking in LaAlO3 / LaNiO3 / LaAlO3 heterostructure
M. Kimura, X. He, T. Katase, T. Tadano, J. M. Tomczak, M. Minohara, R. Aso, H. Yoshida, K. Ide, S. Ueda, H. Hiramatsu, H. Kumigashira, H. Hosono, T. Kamiya
Nano Lett. 21, 9240 (2021) , opens an external URL in a new window ©2021 ACS
LinReTraCe

Resistivity saturation in Kondo insulators
M. Pickem, E. Maggio, J. M. Tomczak
Communications Physics 4, 226 (2021) , opens an external URL in a new window ©2021 Springer Nature Switzerland AG
LinReTraCe, vsc

Breaking of thermopower-conductivity trade-off in LaTiO3 film near Mott insulator to metal transition
Katase, X. He, T. Tadano, J. M. Tomczak, T. Onozato, K. Ide, B. Feng, T. Tohei, H. Hiramatsu, H. Ohta, Y. Ikuhara, H. Hosono, T. Kamiya
Advanced Science 8, 2102097 (2021) , opens an external URL in a new window ©2021 Wiley-VCH GmbH
LinReTraCe

Designing a mechanically driven spin-crossover molecular switch via organic embedding
S. Bhandary, J. M. Tomczak, A. Valli
Nanoscale Adv. 3, 4990 (2021) , opens an external URL in a new window ©2021 Royal Society of Chemistry
LinReTraCe

Anisotropy of electronic correlations: On the applicability of local theories to layered materials
B. Klebel-Knobloch, T. Schäfer, A. Toschi, J. M. Tomczak
Phys. Rev. B. 103, 045121 (2021) , opens an external URL in a new window ©2021 American Physical Society
LinReTraCe, vsc

Parametrizations of local vertex corrections from weak to strong coupling: Importance of the Hedin three-leg vertex
Viktor Harkov, Alexander I. Lichtenstein, and Friedrich Krien
Phys. Rev. B 104, 125141 , opens an external URL in a new window ©2021 American Physical Society
ECo3P, VeCoCo

Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model
Thomas Schäfer et al.
Phys. Rev. X 11, 011058 , opens an external URL in a new window ©2021 American Physical Society
Magnus, vsc

Solving the Bethe-Salpeter equation with exponential convergence
Markus Wallerberger, Hiroshi Shinaoka, and Anna Kauch
Phys. Rev. Research 3, 033168, opens an external URL in a new window ©2021 American Physical Society
VeCoCo, vsc

How correlations change the magnetic structure factor of the kagome Hubbard model
Josef Kaufmann, Klaus Steiner, Richard T. Scalettar, Karsten Held, and Oleg Janson
Phys. Rev. B 104, 165127, opens an external URL in a new window ©2021 American Physical Society
ECo3P, VeCoCo

Asymmetric interfaces and high-TC ferromagnetic phase in La0.67Ca0.33MnO3/SrRuO3 superlattices
Lili Qu, Da Lan, Liang Si, Chao Ma, Shasha Wang, Liqiang Xu, Kexuan Zhang, Feng Jin, Zixun Zhang, Enda Hua, Binbin Chen, Guanyin Gao, Feng Chen, Haifeng Du, Karsten Held, Lingfei Wang and Wenbin Wu
Nano Res. 14, 3621–3628, opens an external URL in a new window ©2021 Springer Nature Switzerland AG
VeCoCo, ECo3P, vsc

Broadening and sharpening of the Drude peak through antiferromagnetic fluctuations
Paul Worm, Clemens Watzenböck, Matthias Pickem, Anna Kauch, and Karsten Held
Phys. Rev. B 104, 115153, opens an external URL in a new window ©2021 American Physical Society
Magnus, VeCoCo, S4F, vsc

Defect-Engineered Dzyaloshinskii–Moriya Interaction and Electric-Field-Switchable Topological Spin Texture in SrRuO3
Jingdi Lu, Liang Si, Qinghua Zhang, Chengfeng Tian, Xin Liu, Chuangye Song, Shouzhe Dong, Jie Wang, Sheng Cheng, Lili Qu, Kexuan Zhang, Youguo Shi, Houbing Huang, Tao Zhu, Wenbo Mi, Zhicheng Zhong, Lin Gu, Karsten Held, Lingfei Wang and Jinxing Zhan
Adv. Mater. 2021, 33, 2102525, opens an external URL in a new window © 2021 Wiley-VCH GmbH
VeCoCo, ECo3P, vsc

Pitfalls and solutions for perovskite transparent conductors
Liang Si, Josef Kaufmann, Zhicheng Zhong, Jan M. Tomczak, and Karsten Held
Phys. Rev. B 104, L041112, opens an external URL in a new window ©2021 American Physical Society
S4F, Magnus, VeCoCo, vsc

Zoology of spin and orbital fluctuations in ultrathin oxide films
Matthias Pickem, Josef Kaufmann, Karsten Held, and Jan M. Tomczak
Phys. Rev. B 104, 024307, opens an external URL in a new window ©2021 American Physical Society
Magnus, VeCoCo, ECo3P, LinReTraCe, vsc

Numerical solver for the time-dependent far-from-equilibrium Boltzmann equation
M. Wais, K. Held, M. Battiato
Comput. Phys. Commun. 264, 107877, opens an external URL in a new window ©2021 Elsevier B.V.
S4F, VeCoCo

Self-energy self-consistent density functional theory plus dynamical mean field theory
Sumanta Bhandary and Karsten Held
Phys. Rev. B 103, 245116, opens an external URL in a new window ©2021 American Physical Society
ERC, vsc

Comparing scattering rates from Boltzmann and dynamical mean-field theory
M. Wais, J. Kaufmann, M. Battiato, and K. Held
Phys. Rev. B 103, 205141, opens an external URL in a new window ©2021 American Physical Society
S4F, VeCoCo, vsc

Tiling with triangles: parquet and GWγ methods unified
Friedrich Krien, Anna Kauch, and Karsten Held
Phys. Rev. Research 3, 013149, opens an external URL in a new window ©2021 American Physical Society
ECo3P, VeCoCo

Self-consistent ladder dynamical vertex approximation
Josef Kaufmann, Christian Eckhardt, Matthias Pickem, Motoharu Kitatani, Anna Kauch, and Karsten Held
Phys. Rev. B 103, 035120, opens an external URL in a new window ©2021 American Physical Society
ERC, VeCoCo, Magnus, ECo3P, vsc

Topology of SmB6 determined by dynamical mean field theory
P. Thunström and K. Held
Phys. Rev. B 104, 075131, opens an external URL in a new window ©2021 American Physical Society
ERC

2020

Electron-light interaction in nonequilibrium: exact diagonalization for time-dependent Hubbard Hamiltonians
Michael Innerberger, Paul Worm, Paul Prauhart and Anna Kauch
Eur. Phys. J. Plus 135, 922 (2020) , opens an external URL in a new window © 2020 Springer Nature Switzerland AG
Magnus, vsc

Quantitative functional renormalization group description of the two-dimensional Hubbard model
Cornelia Hille, Fabian B. Kugler, Christian J. Eckhardt, Yuan-Yao He, Anna Kauch, Carsten Honerkamp, Alessandro Toschi, and Sabine Andergassen
Phys. Rev. Research 2, 033372 , opens an external URL in a new window ©2020 American Physical Society
vsc

Fluctuation diagnostic of the nodal/antinodal dichotomy in the Hubbard model at weak coupling: A parquet dual fermion approach
F. Krien, Alexander I. Lichtenstein, Georg Rohringer
Phys. Rev. B 102, 235133 , opens an external URL in a new window ©2020 American Physical Society
Eco3P, VeCoCo

Nickelate superconductors-a renaissance of the one-band Hubbard model
M. Kitatani, L. Si, O. Janson, R. Arita, Z. Zhong, K. Held
npj Quantum Materials, vol. 5 (2020) 59 , opens an external URL in a new window ©2020 Nature
VeCoCo, Eco3P, VSC

Zero Field Splitting of Heavy-Hole States in Quantum Dots
G. Katsaros, J. Kukucka, L. Vukusic, H. Watzinger, F. Gao, T. Wang, J. Zhang, and K. Held
Nano Lett., vol. 20 (2020) 5201, opens an external URL in a new window ©2020 American Chemical Society

Boson-exchange parquet solver for dual fermions
F. Krien, A. Valli, P. Chalupa, M. Capone, A. I. Lichtenstein, A. Toschi
Phys. Rev. B 102, (2020) 195131 , opens an external URL in a new window ©2020 American Physical Society
Eco3P, VSC

Statistical error estimates in dynamical mean-field theory and extensions thereof
P. Kappl, M. Wallerberger, J. Kaufmann, M. Pickem, and K. Held
Phys. Rev. B, vol. 102 (2020) 085124, opens an external URL in a new window ©2020 American Physical Society
VeCoCo, Eco3P, S4F, VSC

Diagrammatic Monte Carlo method for impurity models with general interactions and hybridizations
Jia Li, Markus Wallerberger, and Emanuel Gull
Phys. Rev. Research 2, 033211 (2020), opens an external URL in a new window ©2020 American Physical Society
Simons Foundation, VeCoCo

High-frequency asymptotics of the vertex function: diagrammatic parametrization and algorithmic implementation
N. Wentzell, G. Li, A. Tagliavini, C. Taranto, G. Rohringer, K. Held, A. Toschi, S. Andergassen
Phys. Rev. B, vol. 102 (2020) 085106, opens an external URL in a new window ©2020 American Physical Society
ViCoM, ERC, VSC

Electric field controllable high-spin SrRuO3 driven by a solid ionic junction
J. Lu, L. Si, X. Yao, C. Tian, J. Wang, Q. Zhang, Z. Lai, I.A. Malik, X. Liu, P. Jiang, K. Zhu, Y. Shi, Z. Luo, L. Gu, K. Held, W. Mi, Z. Zhong, C.-W. Nan, and J. Zhang
Phys. Rev. B, vol. 101 (2020) 214401 , opens an external URL in a new window ©2020 American Physical Society
VeCoCo, ERC, VSC

Robust skyrmion-bubble textures in SrRuO3 thin films stabilized by magnetic anisotropy
P. Zhang, A. Das, E. Barts, M. Azhar, L. Si, K. Held, M. Mostovoy, and T. Banerjee
Phys. Rev. Research, vol. 2 (2020) 032026 , opens an external URL in a new window ©2020 American Physical Society
VeCoCo

Terahertz Excitonics in Carbon Nanotubes: Exciton Autoionization and Multiplication
F.R.G. Bagsican, M. Wais, N. Komatsu, W. Gao, L. W. Weber, K. Serita, H. Murakami, K. Held, F. A. Hegmann, M. Tonouchi, J. Kono, I. Kawayama, M. Battiato
Nano Lett., vol. 20 (2020) 3098, opens an external URL in a new window ©2020 American Chemical Society
S4F, VeCoCo

Topotactic Hydrogen in Nickelate Superconductors and Akin Infinite-Layer Oxides ABO2
L. Si, W. Xiao, J. Kaufmann, J. M. Tomczak, Y. Lu, Z. Zhong, and K. Held
Phys. Rev. Lett., vol. 124 (2020) 166402 , opens an external URL in a new window ©2020 American Physical Society
Eco3P, VeCoCo, VSC

Generic Optical Excitations of Correlated Systems: π-tons
A. Kauch, P. Pudleiner, K. Astleithner, P. Thunström, T. Ribic, and K. Held
Phys. Rev. Lett., vol. 124 (2020) 047401 , opens an external URL in a new window ©2020 American Physical Society
ERC, VeCoCo, S4F, VSC

Truncated unity parquet solver
C. J. Eckhardt, C. Honerkamp, K. Held, and A. Kauch
Phys. Rev. B, vol. 101 (2020) 155104 , opens an external URL in a new window ©2020 American Physical Society
VeCoCo, Eco3P, VSC

Parquet dual fermion approach for the Falicov-Kimball model
K. Astleithner, A. Kauch, T. Ribic, and K. Held
Phys. Rev. B, vol. 101 (2020) 165101 , opens an external URL in a new window ©2020 American Physical Society
VeCoCo, VSC

Isoelectronic tuning of heavy fermion systems: Proposal to synthesize Ce3Sb4Pd3
J. M. Tomczak
Phys. Rev. B, vol. 101 (2020) 035116 , opens an external URL in a new window ©2020 American Physical Society
LinReTraCe, VSC

Atomic-Scale Metal-Insulator Transition in SrRuO3 Ultrathin Films Triggered by Surface Termination Conversion
Lee, H. G., Wang, L., Si, L., He, X., Porter, D. G., Kim, J. R., Ko, E. K., Kim, J., Park, S. M., Kim, B., Wee, A. T. S., Bombardi, A., Zhong, Z., Noh, T. W.
Adv. Mater. 2020, 32, 1905815, opens an external URL in a new window ©2019 WILEY-VCH
ERC, VeCoCo, VSC

2019

Electronic and magnetic state of LaMnO3 epitaxially strained on SrTiO3 : Effect of local correlation and nonlocal exchange
H. Banerjee, O. Janson, K. Held, and T. Saha-Dasgupta
Phys. Rev. B, vol. 100 (2019) 115143, opens an external URL in a new window ©2019 American Physical Society
VSC

Symmetric improved estimators for continuous-time quantum Monte Carlo
J. Kaufmann, P. Gunacker, A. Kowalski, G. Sangiovanni, and K. Held
Phys. Rev. B, vol. 100 (2019) 075119 , opens an external URL in a new window ©2019 American Physical Society
ERC, VeCoCo, VSC

Competition between antiferromagnetic and charge density wave fluctuations in the extended Hubbard model
P. Pudleiner, A. Kauch, K. Held, and G. Li
Phys. Rev. B, vol. 100 (2019) 075108 , opens an external URL in a new window ©2019 American Physical Society
VeCoCo, Eco3P, S4F, VSC

The victory project v1.0: An efficient parquet equations solver
G. Li, A. Kauch, P. Pudleiner, and K. Held
Computer Physics Communications, vol. 241 (2019) 146 – 154. ISSN 0010-4655 , opens an external URL in a new window ©2019 ScienceDirect
ERC, VSC

Quantum Criticality in the Two-Dimensional Periodic Anderson Model
T. Schaefer, A. A. Katanin, M. Kitatani, A. Toschi, and K. Held
PHYSICAL REVIEW LETTERS, vol. 122 (2019) (22), opens an external URL in a new window ©2019 American Physical Society
ERC, FWF, S4F, VSC

Parquet approximation for molecules: Spectrum and optical conductivity of the Pariser-Parr-Pople model
Petra Pudleiner, Patrik Thunstrom, Angelo Valli, Anna Kauch, Gang Li and Karsten Held
Phys. Rev. B 99, 125111 (2019) , opens an external URL in a new window| PDF, opens an external URL in a new window ©2019 American Physical Society
ERC, SFB, S4F, VSC

Why the critical temperature of high-T-c cuprate superconductors is so low: The importance of the dynamical vertex structure
Motoharu Kitatani, Thomas Schäfer, Hideo Aoki and Karsten Held
Phys. Rev. B 99, 051115 (2019), opens an external URL in a new window | PDF, opens an external URL in a new window ©2019 American Physical Society
ERC, S4F, SFB, VSC

Strain-engineering Mott-insulating La2CuO4
O. Ivashko, M. Horio, W. Wan, N.B. Christensen, D.E. McNally, E. Paris, Y. Tseng, N.E. Shaik, H.M. Rønnow, H.I. Wei, C. Adamo, Céline Lichtensteiger, M. Gibert, M.R. Beasley, K.M. Shen, J.M. Tomczak, T. Schmitt, J. Chang
Nat. Commun. 10, 786 (2019) , opens an external URL in a new window ©2019 Nature Publishing Group

w2dynamics: Local one- and two-particle quantities from dynamical
mean field theory

Markus Wallerberger, Andreas Hausoel, Patrik Gunacker, Alexander Kowalski, Nicolaus Parragh, Florian Goth, Karsten Held, Giorgio Sangiovanni
Comput. Phys. Comm. 235 (2019) 388-399, opens an external URL in a new window | PDF, opens an external URL in a new window ©2019 American Physical Society

SFB, ERC, VSC

2018

Strain-induced tuning of the electronic Coulomb interaction in 3d transition metal oxide perovskites
B. Kim, P. Liu, J. M. Tomczak, C. Franchini
Phys. Rev. B, vol. 98 (2018) 075130 , opens an external URL in a new window ©2018 American Physical Society
SFB, VSC

Thermoelectricity in correlated narrow-gap semiconductors
J. M. Tomczak
J. Phys:Condensed Matter 30 (2018) 183001, opens an external URL in a new window ©2018 IOP Publishing
LinReTraCe, VSC

Mass Enhancements and Band Shifts in Strongly Hole-Overdoped Fe-Based Pnictide Superconductors: KFe2As2 and CsFe2As2
S.-L. Drechsler, H. Rosner, V. Grinenko, S. Aswartham, I. Morozov, M. Liu, A. Boltalin, K. Kihou, C.H. Lee, T. Kim, D. Evtushinsky, Jan M. Tomczak, S. Johnston, S. Borisenko
J Supercond Nov Magn 31, 777–783 (2018) , opens an external URL in a new window ©2018 Springer US

Quantum Boltzmann equation for strongly correlated systems: Comparison to dynamical mean field theory
Michael Wais, Martin Eckstein, Roland Fischer, Philipp Werner, Marco Battiato and Karsten Held
Phys. Rev. B 98, 115118 (2018), opens an external URL in a new window | PDF, opens an external URL in a new window ©2018 American Physical Society
ERC, S4F, SFB

Impact of self-consistency in dual fermion calculations
Tin Ribic, Patrik Gunacker and Karsten Held
Phys. Rev. B.98. 125106 (2018), opens an external URL in a new window | PDF, opens an external URL in a new window ©2018 American Physical Society

ERC, VSC

Finite-temperature phase diagram of (111) nickelate bilayers
Oleg Janson and Karsten Held
Phys. Rev. B 98, 115118 (2018), opens an external URL in a new window | PDF, opens an external URL in a new window ©2018 American Physical Society
ERC, VSC

Diagrammatic routes to nonlocal correlations beyond dynamical mean field theory
G. Rohringer, H. Hafermann, A. Toschi, A. A. Katanin, A. E. Antipov, M. I. Katsnelson, A. I. Lichtenstein, A. N. Rubtsov, and K. Held
Rev. Mod. Phys. 90, 025003 (2018), opens an external URL in a new window | PDF, opens an external URL in a new window ©2018 American Physical Society
ERC, SFB, VSC

Impact ionization processes in the steady state of a driven Mott-insulating layer coupled to metallic leads
Max E. Sorantin, Antonius Dorda, Karsten Held, and Enrico Arrigoni
Phys. Rev. B 97, 115113 (2018), opens an external URL in a new window | PDF, opens an external URL in a new window ©2018 American Physical Society
SFB, VSC

Towards ab initio Calculations with the Dynamical Vertex Approximation
Anna Galler, Josef Kaufmann, Patrik Gunacker, Matthias Pickem, Patrik Thunström, Jan M. Tomczak, and Karsten Held
J. Phys. Soc. Jpn. 87, 041004 (2018), opens an external URL in a new window
ERC, SFB, S4F

Importance of Schottky barriers for wide-bandgap thermoelectric devices
M. Wais, K. Held, and M. Battiato
Phys. Rev. Materials 2, 045402 (2018), opens an external URL in a new window | PDF, opens an external URL in a new window ©2018 American Physical Society
SFB, S4F

Divergences of the irreducible vertex functions in correlated metallic systems: Insights from the Anderson impurity model
P. Chalupa, P. Gunacker, T. Schäfer, K. Held, and A. Toschi
Phys. Rev. B 97, 245136 (2018), opens an external URL in a new window | PDF, opens an external URL in a new window ©2018 American Physical Society
ERC, S4F, FOR, VSC

2017

Constraints on the total coupling strength to bosons in the iron based superconductors
S.-L. Drechsler, S. Johnston, V. Grinenko, Jan M. Tomczak, H. Rosner
physica status solidi (b) 254, 1700006 (2017) , opens an external URL in a new window ©2017 Wiley

Realizing double Dirac particles in the presence of electronic interactions
D. Di Sante, A. Hausoel, P. Barone, Jan M. Tomczak, G. Sangiovanni, R. Thomale
Phys. Rev. B, vol. 96 (2017) 121106(R) , opens an external URL in a new window ©2017 American Physical Society

Role of three-particle vertex within dual fermion calculations
T. Ribic, P. Gunacker, S. Iskakov, M. Wallerberger, G. Rohringer, A. N. Rubtsov, E. Gull, and K. Held
Phys. Rev. B 96, 235127 (2017), opens an external URL in a new window | PDF, opens an external URL in a new window ©2017 American Physical Society
ERC, VSC

Interplay of Correlations and Kohn Anomalies in Three Dimensions: Quantum Criticality with a Twist
T. Schäfer, A. A. Katanin, K. Held, and A. Toschi
Phys. Rev. Lett. 119, 046402 (2017), opens an external URL in a new window | PDF, opens an external URL in a new window ©2017 American Physical Society
ERC, SFB, VSC, S4F

Quantum Anomalous Hall State in Ferromagnetic SrRuO3 (111) Bilayers
Liang Si, Oleg Janson, Gang Li, Zhicheng Zhong, Zhaoliang Liao, Gertjan Koster, and Karsten Held
Phys. Rev. Lett. 119, 026402 (2017), opens an external URL in a new window | PDF, opens an external URL in a new window ©2017 American Physical Society
ERC, S4F, SFB, VSC

Local magnetic moments in iron and nickel at ambient and Earth’s core conditions
A. Hausoel, M. Karolak, E. Sasioglu, A. Lichtenstein, K. Held, A. Katanin, A. Toschi, and G. Sangiovanni
Nat. Commun. 8, 16062 (2017), opens an external URL in a new window
ERC, FOR

Continuous-time quantum Monte Carlo calculation of multiorbital vertex asymptotics
Josef Kaufmann, Patrik Gunacker, and Karsten Held
Phys. Rev. B 96, 035114 (2017), opens an external URL in a new window | PDF, opens an external URL in a new window ©2017 American Physical Society
ERC, VSC

Merging GW with DMFT and non-local correlations beyond
J. M. Tomczak, P. Liu, A. Toschi, G. Kresse, and K. Held
Eur. Phys. J. Special Topics 226, 2565 (2017), opens an external URL in a new window
FOR

Boltzmann approach to high-order transport: The nonlinear and nonlocal responses
M. Battiato, V. Zlatic, and K. Held
Phys. Rev. B 95, 235137 (2017), opens an external URL in a new window | PDF, opens an external URL in a new window ©2017 American Physical Society
ERC, SFB

Mott-Hubbard transition in the mass-imbalanced Hubbard model
Marie-Therese Philipp, Markus Wallerberger, Patrik Gunacker, and Karsten Held
Eur. Phys. J. B 90, 114 (2017), opens an external URL in a new window
ERC, VSC, SFB, FOR

Real-space mapping of electronic orbitals
Stefan Löffler, Matthieu Bugnet, Nicolas Gauquelin, Sorin Lazar, Elias Assmann, Karsten Held, Gianluigi A. Botton, Peter Schattschneider
Ultramicroscopy 177, 26 (2017), opens an external URL in a new window

Thickness Dependent Properties in Oxide Heterostructures Driven by Structurally Induced Metal–Oxygen Hybridization Variations
Z. L. Liao, N. Gauquelin, R. J. Green, S. Macke, J. Gonnissen, S. Thomas, Z. Zhong, L. Li, L. Si, S. van Aert, P. Hansmann, K. Held, J. Xia, J. Verbeeck, G. Van Tendeloo, G. A. Sawatzky, G. Koster, M. Huijben, G. Rijnders
Adv. Funct. Mater. 95, 155130 (2017), opens an external URL in a new window

Local correlation functions of arbitrary order for the Falicov-Kimball model
T. Ribic, G. Rohringer, and K. Held
Phys. Rev. B 95, 155130 (2017), opens an external URL in a new window | PDF, opens an external URL in a new window ©2017 American Physical Society
ERC

Ab initio dynamical vertex approximation
A. Galler, P. Thunström, P. Gunacker, J. M. Tomczak, and K. Held
Phys. Rev. B 95, 115107 (2017), opens an external URL in a new window | PDF, opens an external URL in a new window ©2017 American Physical Society
ERC, S4F, VSC

Subpicosecond spin dynamics of excited states in the topological insulator Bi2Te3
J. Sánchez-Barriga, M. Battiato, M. Krivenkov, E. Golias, A. Varykhalov, A. Romualdi, L. V. Yashina, J. Minár, O. Kornilov, H. Ebert, K. Held, and J. Braun
Phys. Rev. B 95, 125405 (2017), opens an external URL in a new window | PDF, opens an external URL in a new window ©2017 American Physical Society
ERC, FOR

Topological Dirac semimetal phase in Pd and Pt oxides
G. Li, B. Yan, Z. Wang, and K. Held
Phys. Rev. B 95, 035102 (2017), opens an external URL in a new window | PDF, opens an external URL in a new window ©2017 American Physical Society
ERC, FOR, VSC

2016

Effective magnetic correlations in hole-doped graphene nanoflakes
A. Valli, A. Amaricci, A. Toschi, T. Saha-Dasgupta, K. Held, and M. Capone
Phys. Rev. B 94, 245146 (2016), opens an external URL in a new window | PDF, opens an external URL in a new window ©2016 American Physical Society
SFB, ERC

Controlled lateral anisotropy in correlated manganite heterostructures by interface-engineered oxygen octahedral coupling
Z. Liao, M. Huijben, Z. Zhong, N. Gauquelin, S. Macke, R. J. Green, S. Van Aert, J. Verbeeck, G. Van Tendeloo, K. Held, G. A. Sawatzky, G. Koster, and G. Rijnders
Nat. Mater. 15, 425 (2016), opens an external URL in a new window PDF: preprint, opens an external URL in a new window supplementary information, opens an external URL in a new window ©2016 Macmillan Publishers Limited
SFB, VSC

Efficient implementation of the parquet equations: Role of the reducible vertex function and its kernel approximation
G. Li, N. Wentzell, P. Pudleiner, P. Thunström, and K. Held
Phys. Rev. B 93, 165103 (2016), opens an external URL in a new window | PDF, opens an external URL in a new window ©2016 American Physical Society
ERC, VSC

Nonlocal correlations and spectral properties of the Falicov-Kimball model
T. Ribic, G. Rohringer, and K. Held
Phys. Rev. B 93, 195105 (2016), opens an external URL in a new window | PDF, opens an external URL in a new window ©2016 American Physical Society
FOR, ERC

Ultrafast and Gigantic Spin Injection in Semiconductors
M. Battiato and K. Held
Phys. Rev. Lett. 116, 196601 (2016), opens an external URL in a new window | PDF, opens an external URL in a new window ©2016 American Physical Society
SFB, ERC

Magnetic Behavior of Volborthite Cu3V2O7(OH)2 · 2H2O Determined by Coupled Trimers Rather than Frustrated Chains
O. Janson, S. Furukawa, T. Momoi, P. Sindzingre, J. Richter, and K. Held
Phys. Rev. Lett. 117, 037206 (2016), opens an external URL in a new window | PDF, opens an external URL in a new window ©2016 American Physical Society
ERC

Charge self-consistency in density functional theory combined with dynamical mean field theory: k-space reoccupation and orbital order
S. Bhandary, E. Assmann, M. Aichhorn, and K. Held
Phys. Rev. B 94, 155131 (2016), opens an external URL in a new window | PDF, opens an external URL in a new window ©2016 American Physical Society
ERC, SFB, FOR, VSC

Worm-improved estimators in continuous-time quantum Monte Carlo
P. Gunacker, M. Wallerberger, T. Ribic, A. Hausoel, G. Sangiovanni, and K. Held
Phys. Rev. B 94, 125153 (2016), opens an external URL in a new window | PDF, opens an external URL in a new window ©2016 American Physical Society
VSC, FOR, ERC

Magnetism in Sr2CrMoO6: A combined ab initio and model study
P. Sanyal, A. Halder, L. Si, M. Wallerberger, K. Held, and T. Saha-Dasgupta
Phys. Rev. B 94, 035132 (2016), opens an external URL in a new window | PDF, opens an external URL in a new window ©2016 American Physical Society
ERC, S4F

Momentum structure of the self-energy and its parametrization for the two-dimensional Hubbard model
P. Pudleiner, T. Schäfer, D. Rost, G. Li, K. Held, and N. Blümer
Phys. Rev. B 93, 195134, opens an external URL in a new window (2016) | PDF, opens an external URL in a new window ©2016 American Physical Society
FOR, ERC, S4F, VSC      

Electronic structure of CeRu4Sn6: a density functional plus dynamical mean field theory study
Philipp Wissgott, and Karsten Held
Eur. Phys. J. B. 89 5 (2016), opens an external URL in a new window
SFB, ERC, VSC  

2015

woptic: Optical conductivity with Wannier functions and adaptive k-mesh refinement
E. Assmann, P. Wissgott, J. Kuneš, A. Toschi, P. Blaha, and K. Held
Comput. Phys. Commun. 202, 1 (2016), opens an external URL in a new window
SFB, ERC, FOR

Tunable site- and orbital-selective Mott transition and quantum confinement effects in La0.5Ca0.5MnO3 nanoclusters
A. Valli, H. Das, G. Sangiovanni, T. Saha-Dasgupta, and K. Held
Phys. Rev. B 92, 115143 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
FOR, ERC, VSC    

Surface Effects on the Mott-Hubbard Transition in Archetypal V2O3
G. Lantz, M. Hajlaoui, E. Papalazarou, V. L. R. Jacques, A. Mazzotti, M. Marsi, S. Lupi, M. Amati, L. Gregoratti, L. Si, Z. Zhong, and K. Held
Phys. Rev. Lett. 115, 236802 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
ERC, S4F, VSC    

Screened moments and absence of ferromagnetism in FeAl
A. Galler, C. Taranto, M. Wallerberger, M. Kaltak, G. Kresse, G. Sangiovanni, A. Toschi, and K. Held
Phys. Rev. B 92, 205132 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
S4F, SFB, FOR, ERC, VSC    

Efficient DMFT impurity solver using real-time dynamics with matrix product states
Martin Ganahl, Markus Aichhorn, Hans Gerd Evertz, Patrik Thunström, Karsten Held, and Frank Verstraete
Phys. Rev. B 92, 155132 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
SFB

Continuous-time quantum Monte Carlo using worm sampling
P. Gunacker, M. Wallerberger, E. Gull, A. Hausoel, G. Sangiovanni, and K. Held
Phys. Rev. B 92, 155102 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
VSC, FOR, ERC

Dynamical vertex approximation for the two-dimensional Hubbard model
Thomas Schäfer, Alessandro Toschi, Karsten Held
J. Magn. Magn. Mater. 400, 107 (2015), opens an external URL in a new window
S4F, SFB, ERC, VSC

Route to room-temperature ferromagnetic ultrathin SrRuO3 films
Liang Si, Zhicheng Zhong, Jan M. Tomczak, and Karsten Held
Phys. Rev. B 92, 041108(R) (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
ERC, S4F, SFB, VSC

Large Seebeck effect by charge-mobility engineering
Peijie Sun, Beipei Wei, Jiahao Zhang, Jan M. Tomczak, A. M. Strydom, M. Søndergaard, Bo B. Iversen, and Frank Steglich
Nature Communications 6, 7475 (2015), opens an external URL in a new window
EUSpec

Electronics with Correlated Oxides: SrVO3/SrTiO3 as a Mott Transistor
Z. Zhong, M. Wallerberger, J. M. Tomczak, C. Taranto, N. Parragh, A. Toschi, G. Sangiovanni, and K. Held
Phys. Rev. Lett. 114, 246401 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
SFB, FOR, ERC

Unified Picture for the Colossal Thermopower Compound FeSb2
M. Battiato, J. M. Tomczak, Z. Zhong, and K. Held
Phys. Rev. Lett. 114, 236603 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
ERC, EUSpec, VSC

Fluctuation Diagnostics of the Electron Self-Energy: Origin of the Pseudogap Physics
O. Gunnarsson, T. Schäfer, J. P. F. LeBlanc, E. Gull, J. Merino, G. Sangiovanni, G. Rohringer, and A. Toschi
Phys. Rev. Lett. 114, 236402 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
S4F, QCM, FOR

Protected Fe valence in quasi-two-dimensional α-FeSi2
W. Miiller, J. M. Tomczak, J. W. Simonson, G. Smith, G. Kotliar, and M. C. Aronson
J. Phys.: Condens. Matter 27, 175601 (2015), opens an external URL in a new window

QSGW+DMFT: an electronic structure scheme for the iron pnictides and beyond
Jan M. Tomczak
J. Phys.: Conf. Ser. 592, 012055 (2015), opens an external URL in a new window
FOR

Separability of dynamical and nonlocal correlations in three dimensions
T. Schäfer, A. Toschi, and Jan M. Tomczak
Phys. Rev. B 91, 121107 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
FOR, S4F, VSC

Momentum-Resolved Spin Dynamics of Bulk and Surface Excited States in the Topological Insulator Bi2Se3
C. Cacho, A. Crepaldi, M. Battiato, J. Braun, F. Cilento, M. Zacchigna, M. C. Richter, O. Heckmann, E. Springate, Y. Liu, S. S. Dhesi, H. Berger, Ph. Bugnon, K. Held, M. Grioni, H. Ebert, K. Hricovini, J. Minár, and F. Parmigiani
Phys. Rev. Lett. 114, 097401 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society

Dynamical vertex approximation in its parquet implementation: Application to Hubbard nanorings
A. Valli, T. Schäfer, P. Thunström, G. Rohringer, S. Andergassen, G. Sangiovanni, K. Held, and A. Toschi
Phys. Rev. B 91, 115115 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
QCM, S4F, SFB, FOR, ERC, VSC

Fate of the false Mott-Hubbard transition in two dimensions
T. Schäfer, F. Geles, D. Rost, G. Rohringer, E. Arrigoni, K. Held, N. Blümer, M. Aichhorn, and A. Toschi
Phys. Rev. B 91, 125109 (2015), opens an external URL in a new window | PDF, opens an external URL in a new window ©2015 American Physical Society
S4F, SFB, FOR, VSC

Giant Switchable Rashba Effect in Oxide Heterostructures
Zhicheng Zhong, Liang Si, Qinfang Zhang, Wei-Guo Yin, Seiji Yunoki, and Karsten Held
Adv. Mater. Interfaces, 1400445 (2015), opens an external URL in a new window
SFB, ERC, VSC

2014

Dynamical Correlations and Screened Exchange on the Experimental Bench: Spectral Properties of the Cobalt Pnictide BaCo2As2
Ambroise van Roekeghem, Thomas Ayral, Jan M. Tomczak, Michele Casula, Nan Xu, Hong Ding, Michel Ferrero, Olivier Parcollet, Hong Jiang, and Silke Biermann
Phys. Rev. Lett. 113, 266403 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS

Bands, resonances, edge singularities and excitons in core level spectroscopy investigated within the dynamical mean-field theory
M. W. Haverkort, G. Sangiovanni, P. Hansmann, A. Toschi, Y. Lu, and S. Macke
EPL 108, 57004(2014), opens an external URL in a new window
FOR

Electronic Reconstruction at the Isopolar LaTiO3/LaFeO3 Interface: An X-Ray Photoemission and Density-Functional Theory Study
J. E. Kleibeuker, Z. Zhong, H. Nishikawa, J. Gabel, A. Müller, F. Pfaff, M. Sing, K. Held, R. Claessen, G. Koster, and G. Rijnders
Phys. Rev. Lett. 113, 237402 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS
FOR

Role of impact ionization in the thermalization of photoexcited Mott insulators
Philipp Werner, Karsten Held, and Martin Eckstein
Phys. Rev. B 90, 235102 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS
SFB

Dynamical vertex approximation
K. Held
In E. Pavarini, E. Koch, D.Vollhardt, A. Lichtenstein (Eds.): "Autumn School on Correlated Electrons. DMFT at 25: Infinite Dimensions", Reihe Modeling and Simulation, Vol. 4 (Forschungszentrum Jülich, 2014)
ISBN 978-3-89336-953-9 | arXiv, opens an external URL in a new window | PDF, opens an external URL in a new window © Forschungszentrum Jülich 2014
FOR, ERC

Asymmetry in band widening and quasiparticle lifetimes in SrVO3: Competition between screenedexchange and local correlations from combined GW and dynamical mean-field theory GW + DMFT
J. M. Tomczak, M. Casula, T. Miyake, and S. Biermann
Phys. Rev. B 90, 165138 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS
ERC

Unfolding the band structure of disordered solids: From bound states to high-mobility Kane fermions
O. Rubel, A. Bokhanchuk, S. J. Ahmed, and E. Assmann
Phys. Rev. B 90, 115202 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS

Cubic interaction parameters for t2g Wannier orbitals
T. Ribic, E. Assmann, A. Tóth, and K. Held
Phys. Rev. B 90, 165105 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS
ERC

Electronic correlations in FeGa3 and the effect of hole doping on its magnetic properties
M. B. Gamża, J. M. Tomczak, C. Brown, A. Puri, G. Kotliar, and M. C. Aronson
Phys. Rev. B 89, 195102 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS

Chebyshev expansion for impurity models using matrix product states
Martin Ganahl, Patrik Thunström, Frank Verstraete, Karsten Held, and Hans Gerd Evertz
Phys. Rev. B 90, 045144 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS
SFB, VSC

From Infinite to Two Dimensions through the Functional Renormalization Group
C. Taranto, S. Andergassen, J. Bauer, K. Held, A. Katanin, W. Metzner, G. Rohringer, and A. Toschi
Phys. Rev. Lett. 112, 196402 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS
FOR, QCM, SFB, VSC

Structural, magnetic, and electrical properties of L12Ir1-xRuxO3
H. Lei, W.-G. Yin, Z. Zhong, and H. Hosomo
Phys. Rev. B 89, 020409(R) (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS

Anisotropic two-dimensional electron gas at SrTiO3(110)
Zhiming Wang, Zhicheng Zhong, Xianfeng Hao, Stefan Gerhold, Bernhard Stöger, Michael Schmid, Jaime Sánchez-Barriga, Andrei Varykhalov, Cesare Franchini, Karsten Held, and Ulrike Diebold
PNAS Early Edition, 1318304111 (2014), opens an external URL in a new window
SFB, ERC, VSC

Importance of d–p Coulomb interaction for high T C cuprates and other oxides
P. Hansmann, N. Parragh, A. Toschi, G. Sangiovanni, and K. Held
New J. Phys. 16, 033009 (2014, opens an external URL in a new window)
FOR, SFB, VSC

Double quantum dot as a minimal thermoelectric generator
S. Donsa, S. Andergassen, and K. Held
Phys. Rev. B 89, 125103 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS
SFB, ERC

Treating the effect of interface reflections on superdiffusive spin transport in multilayer samples
M. Battiato, P. Maldonado, and P. M. Oppeneer
J. Appl. Phys. 115, 172611 (2014) , opens an external URL in a new window

Ultrafast spin precession and transport controlled and probed with terahertz radiation
T. Kampfrath, M. Battiato, A. Sell, F. Freimuth, A. Leitenstorfer, M. Wolf, R. Huber, P. M. Oppeneer, and M. Münzenberg
Proc. SPIE 8984, 898415 (2014), opens an external URL in a new window

Treatment of 4f states of the rare earths: The case study of TbN
L. Peters, I. Di Marco, P. Thunström, M. I. Katsnelson, A. Kirilyuk, and O. Eriksson
Phys. Rev. B 89, 205109 (2014), opens an external URL in a new window | PDF, opens an external URL in a new window ©2014 APS

A charge self-consistent LDA+DMFT study of the spectral properties of hexagonal NiS
S. K. Panda, P. Thunström, I. Di Marco, J. Schött, A. Delin, I. Dasgupta, O. Eriksson, and D. D. Sarma
New J. Phys. 16, 093049 (2014), opens an external URL in a new window

2013 - 2008

2013

Rocksalt SnS and SnSe: Native topological crystalline insulators
Y. Sun, Z. Zhong, T. Shirakawa, C. Franchini, D. Li, Y. Li, S. Yunoki, and X.-Q. Chen
Phys. Rev. B 88, 235122 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS
VSC

Quantum confinement in perovskite oxide heterostructures: Tight binding instead of a nearly free electron picture
Z. Zhong, Q. Zhang, and K. Held
Phys. Rev. B 88, 125401 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS
ERC, SFB, VSC

One-particle irreducible functional approach: A route to diagrammatic extensions of the dynamical mean-field theory
G. Rohringer, A. Toschi, H. Hafermann, K. Held, V. I. Anisimov, and A. A. Katanin
Phys. Rev. B 88, 115112 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS
ERC, QCM, VSC

Physics behind the minimum of relative entropy measures for correlations
K. Held and N. J. Mauser
Eur. Phys. J. B 86, 328 (2013), opens an external URL in a new window
SFB

Hard x-ray photoemission and density functional theory study of the internal electric field in SrTiO3/LaAlO3 oxide heterostructures
E. Slooten, Z. Zhong, H. J. A. Molegraaf, P. D. Eerkes, S. de Jong, F. Massee, E. van Heumen, M. K. Kruize, S. Wenderich, J. E. Kleibeuker, M. Gorgoi, H. Hilgenkamp, A. Brinkman, M. Huijben, G. Rijnders, D. H. A. Blank, G. Koster, P. J. Kelly, and M. S. Golden
Phys. Rev. B 87, 085128 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS

Poor Man’s Understanding of Kinks Originating from Strong Electronic Correlations
K. Held, R. Peters, and A. Toschi
Phys. Rev. Lett. 110, 246402 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS
ERC, FOR, QCM

Anisotropic optical conductivity of the putative Kondo insulator CeRu4Sn6
V. Guritanu, P. Wissgott, T. Weig, H. Winkler, J. Sichelschmidt, M. Scheffler, A. Prokofiev, S. Kimura, T. Iizuka, A. M. Strydom, M. Dressel, F. Steglich, K. Held, and S. Paschen
Phys. Rev. B 87, 115129 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS
SFB, VSC

Divergent Precursors of the Mott-Hubbard Transition at the Two-Particle Level
T. Schäfer, G. Rohringer, O. Gunnarsson, S. Ciuchi, G. Sangiovanni, and A. Toschi
Phys. Rev. Lett. 110, 246405 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS
FOR, QCM, VSC

Theory of spin-orbit coupling at LaAlO3/SrTiO3 interfaces and SrTiO3 surfaces
Z. Zhong, A. Tóth, and K. Held
Phys. Rev. B 87, 161102(R) (2013, opens an external URL in a new window) | PDF, opens an external URL in a new window ©2013 APS
MONAMI, SFB, VSC

Oxide Heterostructures for Efficient Solar Cells
E. Assmann, P. Blaha, R. Laskowski, K. Held, S. Okamoto, and G. Sangiovanni
Phys. Rev. Lett. 110, 078701 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS
SFB

Double exchange model for nanoscopic clusters
D. Rotter, A. Valli, G. Sangiovanni, and K. Held
Eur. Phys. J. B 86, 68 (2013), opens an external URL in a new window
FOR, MONAMI, QCM, SFB

Rare-earth vs. heavy metal pigments and their colors from first principles
Jan M. Tomczak, L. V. Pourovskii, L. Vaugier, A. Georges, S. Biermann
Proc. Natl. Acad. Sci. USA 110 (3) 904-907 (2013), opens an external URL in a new window

Thermopower of the Correlated Narrow Gap Semiconductor FeSi and Comparison to RuSi
Jan M. Tomczak, K. Haule, G. Kotliar
NATO Science for Peace and Security Series B: Physics and Biophysics, 2013, 45-57, opens an external URL in a new window

Comparing quasiparticle GW+DMFT and LDA+DMFT for the test bed material SrVO3
C. Taranto, M. Kaltak, N. Parragh, G. Sangiovanni, G. Kresse, A. Toschi, and K. Held
Phys. Rev. B 88, 165119 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS
SFB, VOR, VSC

Mott–Hubbard transition in V2O3 revisited
P. Hansmann, A. Toschi, G. Sangiovanni, T. Saha-Dasgupta, S. Lupi, M. Marsi, and K. Held
Phys. Status Solidi B 250, No. 7, 1251–1264 (2013), opens an external URL in a new window
FOR, MONAMI, VSC

Electron correlations in MnxGa1–xAs as seen by resonant electron spectroscopy and dynamical mean field theory
I. Di Marco, P. Thunström, M. I. Katsnelson, J. Sadowski, K. Karlsson, S. Lebègue, J. Kanski, and O. Eriksson
Nature Communications 4, Article number: 2645 (2013), opens an external URL in a new window

Correlated electronic structure of Fe in bulk Cs and on a Cs surface
M. Costa, P. Thunström, I. Di Marco, A. Bergman, A. B. Klautau, A. I. Lichtenstein, M. I. Katsnelson, and O. Eriksson
Phys. Rev. B 87, 115142 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS

Identifying the Electronic Character and Role of the Mn States in the Valence Band of (Ga,Mn)As
J. Fujii, B. R. Salles, M. Sperl, S. Ueda, M. Kobata, K. Kobayashi, Y. Yamashita, P. Torelli, M. Utz, C. S. Fadley, A. X. Gray, J. Braun, H. Ebert, I. Di Marco, O. Eriksson, P. Thunström, G. H. Fecher, H. Stryhanyuk, E. Ikenaga, J. Minár, C. H. Back, G. van der Laan, and G. Panaccione
Phys. Rev. Lett. 111, 097201 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS

Effective crystal field and Fermi surface topology: A comparison of d- and dp-orbital models
N. Parragh, G. Sangiovanni, P. Hansmann, S. Hummel, K. Held, and A. Toschi
Phys. Rev. B 88, 195116 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS
FOR, SFB

Highly dispersive electron relaxation and colossal thermoelectricity in the correlated semiconductor FeSb2
Peijie Sun, Wenhu Xu, Jan M. Tomczak, Gabriel Kotliar, Martin Søndergaard, Bo B. Iversen, and Frank Steglich
Phys. Rev. B 88, 245203 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS

Development of the Digital Storage Fuon
H. Ostad-Ahmad-Ghorabi, T. Schäfer, A. Spielauer, G. Aschinger, D. Collado-Ruiz
Proceedings of the 19th International Conference on Engineering Design (ICED13), Design for Harmonies. 2013 (2): 133-142
ISBN: 978-1-904670-45-2

Raman-Scattering Measurements and Theory of the Energy-Momentum Spectrum for Underdoped Bi2Sr2CaCuO8+δ Superconductors: Evidence of an s-Wave Structure for the Pseudogap
S. Sakai, S. Blanc, M. Civelli, Y. Gallais, M. Cazayous, M.-A. Méasson, J. S. Wen, Z. J. Xu, G. D. Gu, G. Sangiovanni, Y. Motome, K. Held, A. Sacuto, A. Georges, and M. Imada
Phys. Rev. Lett. 111, 107001 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS
SFB, VSC

Ultrafast spin transport as key to femtosecond demagnetization
A. Eschenlohr, M. Battiato, P. Maldonado, N. Pontius, T. Kachel, K. Holldack, R. Mitzner, A. Föhlisch, P. M. Oppeneer, and C. Stamm
Nature Materials 12, 332–336 (2013), opens an external URL in a new window

Terahertz spin current pulses controlled by magnetic heterostructures
T. Kampfrath, M. Battiato, P. Maldonado, G. Eilers, J. Nötzold, S. Mährlein, V. Zbarsky, F. Freimuth, Y. Mokrousov, S. Blügel, M. Wolf, I. Radu, P. M. Oppeneer, and M. Münzenberg
Nature Nanotechnology 8, 256–260 (2013), opens an external URL in a new window

Ab initio theory of electron-phonon mediated ultrafast spin relaxation of laser-excited hot electrons in transition-metal ferromagnets
K. Carva, M. Battiato, D. Legut, and P. M. Oppeneer
Phys. Rev. B 87, 184425 (2013), opens an external URL in a new window | PDF, opens an external URL in a new window ©2013 APS

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2012

Kinks in the periodic Anderson model
A. Kainz, A. Toschi, R. Peters, and K. Held
Phys. Rev. B 86, 195110 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR, QCM, SFB

Conserved quantities of SU(2)-invariant interactions for correlated fermions and the advantages for quantum Monte Carlo simulations
N. Parragh, A. Toschi, K. Held, and G. Sangiovanni
Phys. Rev. B 86, 155158 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR

Spin State of Negative Charge-Transfer Material SrCoO3
J. Kuneš, V. Kápek, N. Parragh, G. Sangiovanni, A. Toschi, and A. V. Kozhevnikov
Phys. Rev. Lett. 109, 117206 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR

Correlation effects in transport properties of interacting nanostructures
A. Valli, G. Sangiovanni, A. Toschi, and K. Held
Phys. Rev. B 86, 115418 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR, QCM, SFB, VSC

Local electronic correlation at the two-particle level
G. Rohringer, A. Valli, and A. Toschi
Phys. Rev. B 86, 125114 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR, QCM, VSC

Effective on-site interaction for dynamical mean-field theory
Y. Nomura, M. Kaltak, K. Nakamura, C. Taranto, S. Sakai, A. Toschi, R. Arita, K. Held, G. Kresse, and M. Imada
Phys. Rev. B 86, 085117 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR, SFB

Microscopic understanding of the orbital splitting and its tuning at oxide interaces
Z. Zhong, P. Wissgott, K. Held, and G. Sangiovanni
Europhys. Lett. 99, 37011 (2012), opens an external URL in a new window
FOR, MONAMI, SFB

Quantum dynamical screening of the local magnetic moment in Fe-based superconductors
A. Toschi, R. Arita, P. Hansmann, G. Sangiovanni, and K. Held
Phys. Rev. B 86, 064411 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR, QCM, SFB, VSC

Enhancement of the effective disorder potential and thermopower in NaxCoO2 through electron-phonon coupling
G. Sangiovanni, P. Wissgott, F. Assaad, A. Toschi, and K. Held
Phys. Rev. B 86, 035123 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR, QCM, SFB

Prediction of thickness limits of ideal polar ultrathin films
Z. Zhong, G. Koster, and P. J. Kelly
Phys. Rev. B 85, 121411(R) (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS

Dipole matrix element approach versus Peierls approximation for optical conductivity
P. Wissgott, J. Kuneš, A. Toschi, and K. Held
Phys. Rev. B 85, 205133 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR, QCM, SFB, VSC

Atomic and itinerant effects at the transition-metal x-ray absorption K pre-edge exemplified in the case of V2O3
P. Hansmann, M. W. Haverkort, A. Toschi, G. Sangiovanni, F. Rodolakis, J. P. Rueff, M. Marsi, and K. Held
Phys. Rev. B 85, 115136 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR, SFB, VSC

Reply to Comment on Size Control of Charge-Orbital Order in Half-Doped Manganite La0.5Ca0.5MnO3
H. Das, G. Sangiovanni, A. Valli, K. Held, and T. Saha-Dasgupta
Phys. Rev. Lett. 108, 129702 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS

Signature of antiferromagnetic long-range order in the optical spectrum of strongly correlated electron systems
C. Taranto, G. Sangiovanni, K. Held, M. Capone, A. Georges, and A. Toschi
Phys. Rev. B 85, 085124 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
FOR, QCM, SFB, VSC

Cluster-size dependence in cellular dynamical mean-field theory
S. Sakai, G. Sangiovanni, M. Civelli, Y. Motome, K. Held, and M. Imada
Phys. Rev. B 85, 035102 (2012), opens an external URL in a new window | PDF, opens an external URL in a new window ©2012 APS
SFB, VSC

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2011

Orbital characters of three-dimensional Fermi surfaces in EuxSrxNiO4 as probed by soft-x-ray angle-resolved photoemission spectroscopy
M. Uchida, K. Ishizaka, P. Hansmann, X. Yang, M. Sakano, J. Miyawaki, R. Arita, Y. Kaneko, Y. Takata, M. Oura, A. Toschi, K. Held, A. Chainani, O. K. Andersen, S. Shin, and Y. Tokura
Phys. Rev. B 84, 241109 (2011), opens an external URL in a new window | PDF, opens an external URL in a new window ©2011 APS

Evolution of the electronic structure of a Mott system across its phase diagram: X-ray absorption spectroscopy study of (V1-xCrx)2O3
F. Rodolakis, J.-P. Rueff, M. Sikora, I. Alliot, J.-P. Itié, F. Baudelet, S. Ravy, P. Wzietek, P. Hansmann, A. Toschi, M. W. Haverkort, G. Sangiovanni, K. Held, P. Metcalf, and M. Marsi
Phys. Rev. B 84, 245113 (2011), opens an external URL in a new window | PDF, opens an external URL in a new window ©2011 APS

Critical Properties of the Half-Filled Hubbard Model in Three Dimensions
G. Rohringer, A. Toschi, A. Katanin, and K. Held
Phys. Rev. Lett. 107, 256402 (2011), opens an external URL in a new window | PDF, opens an external URL in a new window ©2011 APS
MONAMI, QCM, SFB, VSC

Size Control of Charge-Orbital Order in Half-Doped Manganite La0.5Ca0.5MnO3
H. Das, G. Sangiovanni, A. Valli, K. Held, and T. Saha-Dasgupta
Phys. Rev. Lett. 107, 197202 (2011), opens an external URL in a new window | PDF, opens an external URL in a new window ©2011 APS
MONAMI, SFB, VSC

Ab initio calculations with the dynamical vertex approximation
A. Toschi, A. A. Katanin, G. Rohringer, and K. Held
Annalen der Physik 523, 698 (2011), opens an external URL in a new window
FOR, MONAMI, QCM

Hedin Equations, GW, GW+DMFT, and All That
K. Held, C. Taranto, G. Rohringer, and A. Toschi
“The LDA+DMFT approach to strongly correlated materials - Lecture Notes of the Autumn School 2011 Hands-on LDA+DMFT”
eds: E. Pavarini, E. Koch, D. Vollhardt, A. Lichtenstein; publisher: FZ Jülich GmbH
arxiv.org/abs/1109.3972, opens an external URL in a new window
FOR

Effects of electronic correlationsand disorder on the thermopower of NaxCoO2
P. Wissgott, A. Toschi, G. Sangiovanni, and K. Held
Phys. Rev. B 84, 085129 (2011), opens an external URL in a new window | PDF, opens an external URL in a new window ©2011 APS
GK W004, FOR, SFB, VSC

Pseudogap of Metallic Layered Nickelate R2-xSrxNiO4 (R=Nd,Eu) Crystals Measured Using Angle-Resolved Photoemission Spectroscopy
M. Uchida, K. Ishizaka, P. Hansmann, Y. Kaneko, Y. Ishida, X. Yang, R. Kumai, A. Toschi, Y. Onose, R. Arita, K. Held, O. K. Andersen, S. Shin, and Y. Tokura
Phys. Rev. Lett. 106, 027001 (2011), opens an external URL in a new window | PDF, opens an external URL in a new window ©2011 APS
MONAMI

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2010

Electronic structure of nickelates: From two-dimensional heterostructures to three-dimensional bulk materials
P. Hansmann, A. Toschi, Xiaoping Yang, O. K. Andersen, and K. Held
Phys. Rev. B 82, 235123 (2010), opens an external URL in a new window | PDF, opens an external URL in a new window ©2010 APS
SFB, WK004, FOR, MONAMI, VSC

Enhancement of the NaxCoO2 thermopower due to electronic correlations
P. Wissgott, A. Toschi, H. Usui, K. Kuroki, and K. Held
Phys. Rev. B 82, 201106 (2010), opens an external URL in a new window | PDF, opens an external URL in a new window ©2010 APS
GK W004, SFB, FOR, MONAMI, VSC

Dynamical mean field theory for manganites
Y.-F. Yang and K. Held
Phys. Rev. B 82, 195109 (2010), opens an external URL in a new window | PDF, opens an external URL in a new window ©2010 APS
MONAMI, SFB, FOR

High-Temperature Optical Spectral Weight and Fermi-liquid Renormalization in Bi-Based Cuprate Superconductors
D. Nicoletti, O. Limaj, P. Calvani, G. Rohringer, A. Toschi, G. Sangiovanni, M. Capone, K. Held, S. Ono, Yoichi Ando, and S. Lupi
Phys. Rev. Lett. 105, 077002 (2010), opens an external URL in a new window | PDF, opens an external URL in a new window ©2010 APS
MONAMI

A microscopic view on the Mott transition in chromium-doped V2O3
S. Lupi, L. Baldassarre, B. Mansart, A. Perucchi, A. Barinov, P. Dudin, E. Papalazarou, F. Rodolakis, J. -P. Rueff, J. -P. Itié, S. Ravy, D. Nicoletti, P. Postorino, P. Hansmann, N. Parragh, A. Toschi, T. Saha-Dasgupta, O. K. Andersen, G. Sangiovanni, K. Held, and M. Marsi
Nature Communications 1, 105 (2010), opens an external URL in a new window
WK04

Dynamical Vertex Approximation for Nanoscopic Systems
A. Valli, G. Sangiovanni, O. Gunnarsson, A. Toschi, and K. Held
Phys. Rev. Lett. 104, 246402 (2010), opens an external URL in a new window | PDF, opens an external URL in a new window ©2010 APS
WK004, VSC

Dichotomy between Large Local and Small Ordered Magnetic Moments in Iron-Based Superconductors
P. Hansmann, R. Arita, A. Toschi, S. Sakai, G. Sangiovanni, and K. Held
Phys. Rev. Lett. 104, 197002 (2010), opens an external URL in a new window | PDF, opens an external URL in a new window ©2010 APS
MONAMI, WK004

Inequivalent Routes across the Mott Transition in V2O3 Explored by X-Ray Absorption
F. Rodolakis, P. Hansmann, J.-P. Rueff, A. Toschi, M. W. Haverkort, G. Sangiovanni, A. Tanaka, T. Saha-Dasgupta, O. K. Andersen, K. Held, M. Sikora, I. Alliot, J.-P. Itié, F. Baudelet, P. Wzietek, P. Metcalf, and M. Marsi
Phys. Rev. Lett. 104, 047401 (2010), opens an external URL in a new window | PDF, opens an external URL in a new window ©2010 APS
MONAMI, W004

Reply to Comment on Kinks in the electronic specific Heat
A. Toschi, M. Capone, C. Castellan, and K. Held
Phys. Rev. Lett. 104, 059704 (2010), opens an external URL in a new window | PDF, opens an external URL in a new window ©2010 APS

Wien2wannier: From linearized augmented plane waves to maximally localized Wannier functions
J. Kuneš, R. Arita, P. Wissgott, A. Toschi, H. Ikeda, K. Held
Comp. Phys. Comm. 181, 1888 (2010), opens an external URL in a new window
MONAMI, WK04

Spectral properties of the Mott Hubbard insulator (Cr0.011V0.989)2O3 calculated by LDA+DMFT
A. Toschi, P. Hansmann, G. Sangiovanni, T. Saha-Dasgupta, O. K. Andersen, and K. Held
J. Phys.: Conf. Ser. 200, 012208 (2010), opens an external URL in a new window

Kinks: Fingerprints of strong electronic correlations
A. Toschi, M. Capone, C. Castellani, and K. Held
J. Phys.: Conf. Ser. 200, 012207 (2010), opens an external URL in a new window
MONAMI

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2009

Comparing pertinent effects of antiferromagnetic fluctuations in the two- and three-dimensional Hubbard model
A. A. Katanin, A. Toschi, and K. Held
Phys. Rev. B 80, 075104 (2009), opens an external URL in a new window | PDF, opens an external URL in a new window ©2009 APS
MONAMI

Turning a nickelate Fermi surface into a cupratelike one through heterostructuring
P. Hansmann, X. Yang, A. Toschi, G. Khaliullin, O. K. Andersen, and K. Held
Phys. Rev. Lett. 103, 016401 (2009), opens an external URL in a new window | PDF, opens an external URL in a new window ©2009 APS
W004

Kinks in the electronic specific heat
A. Toschi, M. Capone, C. Castellani, and K. Held
Phys. Rev. Lett. 102, 076402 (2009), opens an external URL in a new window | PDF, opens an external URL in a new window ©2009 APS

Pressure and alloying effects on the metal to insulator transition in NiS2-xSex studied by infrared spectroscopy
A. Perucchi, C. Marini, M. Valentini, P. Postorino, R. Sopracase, P. Dore, P. Hansmann, O. Jepsen, G. Sangiovanni, A. Toschi, K. Held, D. Topwal, D. D. Sarma, S. Lupi
Phys. Rev. B 80, 073101 (2009), opens an external URL in a new window | PDF, opens an external URL in a new window ©2009 APS

Electroniccorrelations in V2O3 studied with K-edge X-ray absorption spectroscopy
F. Rodolakis, P. Hansmann, J. P. Rueff, A. Toschi, M. W. Haverkort, G. Sangiovanni, K. Held, M. Sikora, A. Congeduti, J. P. Iti, F. Baudelet, P. Metcalf, M. Marsi
Journal of Physics: Conference Series 19, 0012092 (2009)

The LDA+DMFT Route to Identify Good Thermoelectrics
in Properties and Applications of Thermoelectric Materials, V. Zlatic, A. C. Hewson (eds.)
K. Held, R. Arita, V. Anisimov, K. Kuroki
The NATO Science for Peace and Security Programme; Springer-Verlag, 2009, p. 141 - 157

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2008

Correlated electron tunneling throughtwo separate quantum dot systems with strong capacitive interdot coupling
A. Hübel, K. Held, J. Weis, and K. v. Klitzing
Phys. Rev. Lett. 101, 186804 (2008), opens an external URL in a new window | PDF, opens an external URL in a new window ©2008 APS

Origin of large thermopower in LiRh2O4: Calculation of the Seebeck coefficient by the combination of local density approximation and dynamical mean-field theory
R. Arita, K. Kuroki, K. Held, A. V. Lukoyanov, S. Skornyakov, V. I. Anisimov
Phys. Rev. B 78, 115121 (2008), opens an external URL in a new window | PDF, opens an external URL in a new window ©2008 APS

Dynamical vertex approximation – an introduction
K. Held, A. Katanin, and A. Toschi
Prog. Theor. Phys. Suppl. 176, 117 (2008), opens an external URL in a new window

Bandstructure meets many-body theory: the LDA + DMFT method
K. Held, O. K. Andersen, M. Feldbacher, A. Yamasaki, Y.-F. Yang
J. Phys. Cond. Matter 20, 064202 (2008), opens an external URL in a new window

Quasiparticle evolution and pseudogap formation in V2O3: An infrared spectroscopy study
L. Baldassarre, A. Perucchi, D. Nicoletti, A. Toschi, G. Sangiovanni, K. Held, M. Capone, M. Ortolani, L. Malavasi, M. Marsi, P. Metcalf, P. Postorino, S. Lupi,
Phys. Rev. B 77, 113107 (2008), opens an external URL in a new window | PDF, opens an external URL in a new window ©2008 APS

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The labels below refer to the following fundings:

ECo3P: FWF Electronic correlations on the three-particle level, FWF P 32044
LinReTraCe: FWF Simulating Transport Properties of Correlated Materials, FWF P 30213
VeCoCo: FWF Vertex Corrections to the Conductivity, FWF P 30997
Magnus: FWF Adaptive Magnus Integrators for Quantum Systems, FWF P 30819
SFB: SFB ViCoM
ERC: ERC Starting Grant No. 306447 AbinitioDΓA
QCM: Quantum criticality in strongly correlated magnets, I 610
S4F: FWF School W1243 Solids4Fun (Building Solids for Function)
MONAMI: Modeling of Nano-scaled Advanced Materials Intelligently, Grant agreement ID: 233513
More information on current and previous projects can be found on the projects, opens an external URL in a new window page.
Please notice the copyright of American Physical Society for all of the APS-published articles.