## Publications Computational Physics group

## Complete list of publications |
ResearcherID link | |||

## Reviews |
||||

Dynamical screening in correlated electron systems - from lattice models to realistic materials |
P. Werner and M.Casula | Journal of Physics: Condensed Matter 28, 383001 (2016) | ||

Nonequilibrium dynamical mean-field theory and its applications |
H. Aoki, N. Tsuji, M. Eckstein, M. Kollar, T. Oka and P. Werner | Rev. Mod. Phys. 86, 779 (2014) | ||

Continuous-time Monte Carlo methods for quantum impurity models |
E. Gull, A. J. Millis, A. I. Lichtenstein, A. N. Rubtsov, M. Troyer and P. Werner | Rev. Mod. Phys. 83, 349 (2011) | ||

## Books |
||||

Quantum Monte Carlo methods - Algorithms for lattice models |
J. Gubernatis, N. Kawashima and P. Werner | Amazon link | ||

## 2017 |
||||

Quantum Monte Carlo impurity solvers for multi-orbital problems and frequency-dependent interactions |
H. Shinaoka, F. Assaad, N. Bluemer, and P. Werner | Eur. Phys. J. Special Topics 226, 2499 (2017) | ||

Nonequilibrium steady states and transient dynamics of conventional superconductors under phonon driving |
Y. Murakami, N. Tsuji, M. Eckstein and P. Werner | Phys. Rev. B 96, 045125 (2017) | ||

Nonequilibrium GW+EDMFT: Antiscreening and Inverted Populations from Nonlocal Correlations |
D. Golez, L. Boehnke, H. Strand, M. Eckstein, and P. Werner | Phys. Rev. Lett. 118, 246402 (2017) | ||

Influence of Fock exchange in combined many-body perturbation and dynamical mean field theory |
T. Ayral, S. Biermann, P. Werner and L. Boehnke | Phys. Rev. B 95, 245130 (2017) | ||

Ultrafast switching of composite order in A3C60 |
P. Werner, H. Strand, S. Hoshino and M. Eckstein | Phys. Rev. B 95, 195405 (2017) | ||

Spontaneous Orbital-Selective Mott Transitions and the Jahn-Teller Metal of A3C60 |
S. Hoshino and P. Werner | Phys. Rev. Lett. 118, 177002 (2017) | ||

Continuous-time hybridization expansion quantum impurity solver for multi-orbital systems with complex hybridizations |
H. Shinaoka, E. Gull, and P. Werner | Computer Physics Communications 215, 128 (2017) | ||

J Freezing and Hund's Rules in Spin-Orbit-Coupled Multiorbital Hubbard Models |
A. Kim, H. Jeschke, P. Werner, and R. Valenti | Phys. Rev. Lett. 118, 086401 (2017) | ||

Exact out-of-time-ordered correlation functions for an interacting lattice fermion model |
N. Tsuji, P. Werner, and M. Ueda | Phys. Rev. A 95, 011601 (2017) | ||

## 2016 |
||||

Spin-freezing perspective on cuprates |
P. Werner, S. Hoshino, and H. Shinaoka | Phys. Rev. B 94, 245134 (2016) | ||

Nonequilibrium dynamical cluster approximation study of the Falicov-Kimball model |
A. Herrmann, N. Tsuji, M. Eckstein, and P. Werner | Phys. Rev. B 94, 245114 (2016) | ||

Detecting phase transitions and crossovers in Hubbard models using the fidelity susceptibility |
L. Huang, Y. Wang, L. Wang, and P. Werner | Phys. Rev. B 94, 235110 (2016) | ||

When strong correlations become weak: Consistent merging of GW and DMFT |
L. Boehnke, F. Nilsson, F. Aryasetiawan, and P. Werner | Phys. Rev. B 94, 201106 (2016) | ||

Bosonic self-energy functional theory |
D. Huegel, L. Pollet, P. Werner, and H. Strand | Phys. Rev. B 94, 195119 (2016) | ||

Long-range orders and spin/orbital freezing in the two-band Hubbard model |
K. Steiner, S. Hoshino, Y. Nomura, and P. Werner | Phys. Rev. B 94, 075107 (2016) | ||

Dynamical screening in correlated electron systems - from lattice models to realistic materials |
P. Werner and M. Casula | Journal of Physics: Condensed Matter 28, 383001 (2016) | ||

Photo-induced gap closure in an excitonic insulator |
D. Golez, P. Werner and M. Eckstein | Phys. Rev. B 94, 035121 (2016) | ||

Multiple amplitude modes in strongly-coupled phonon-mediated superconductors |
Y. Murakami, P. Werner, N. Tsuji, and H. Aoki | Phys. Rev. B 93, 094509 (2016) | ||

Ultra-fast photo-carrier relaxation in Mott insulators with short-range spin correlations |
M. Eckstein and P. Werner | Scientific Reports 6, 21235 (2016) | ||

Effective doublon and hole temperatures in the photo-doped dynamic Hubbard model |
P. Werner and M. Eckstein | Structural Dynamics 3, 023603 (2016) | ||

## 2015 |
||||

Superconductivity from Emerging Magnetic Moments |
S. Hoshino and P. Werner | Phys. Rev. Lett. 115, 247001 (2015) | ||

Beyond the Hubbard bands in strongly correlated lattice bosons |
H. Strand, M. Eckstein, and P. Werner | Phys. Rev. A 92, 063602 (2015) | ||

Dynamics of screening in photodoped Mott insulators |
D. Golez, M. Eckstein, and P. Werner | Phys. Rev. B 92, 195123 (2015) | ||

Negative sign problem in continuous-time quantum Monte Carlo: Optimal choice of single-particle basis for impurity problems |
H. Shinaoka, Y. Nomura, S. Biermann, M. Troyer, and P. Werner | Phys. Rev. B 92, 195126 (2015) | ||

Phase Diagram of Pyrochlore Iridates: All-in-All-out Magnetic Ordering and Non-Fermi-Liquid Properties |
H. Shinaoka, S. Hoshino, M. Troyer, and P. Werner | Phys. Rev. Lett. 115, 156401 (2015) | ||

Nonthermal Melting of Neel Order in the Hubbard Model |
K. Balzer, F. A. Wolf, I. P. McCulloch, P. Werner, and M. Eckstein | Phys. Rev. X 5, 031039 (2015) | ||

Double-expansion impurity solver for multiorbital models with dynamically screened U and J |
K. Steiner, Y. Nomura, and P. Werner | Phys. Rev. B 92, 115123 (2015) | ||

Accuracy of downfolding based on the constrained random-phase approximation |
H. Shinaoka, M. Troyer, and P. Werner | Phys. Rev. B 91, 245156 (2015) | ||

iQIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit |
L. Huang, Y. Wang, Z. Y. Meng, L. Du, P. Werner, and X. Dai | Computer Physics Communications 195, 140 (2015) | ||

On the dangers of partial diagrammatic summations: Benchmarks for the two-dimensional Hubbard model in the weak-coupling regime |
J. Gukelberger, L. Huang, and P. Werner | Phys. Rev. B 91, 235114 (2015) | ||

Nonequilibrium Dynamical Mean-Field Theory for Bosonic Lattice Models |
H. Strand, M. Eckstein, and P. Werner | Phys. Rev. X 5, 011038 (2015) | ||

Field-induced polaron formation in the Holstein-Hubbard model |
P. Werner and M. Eckstein | Europys. Lett. 109, 37002 (2015) | ||

Dynamical screening in La2CuO4 |
P. Werner, R. Sakuma, F. Nilsson, and F. Aryasetiawan | Phys. Rev. B 91, 125142 (2015) | ||

Superconductivity in the two-band Hubbard model |
A. Koga and P. Werner | Phys. Rev. B 91, 085108 (2015) | ||

Interaction quench in the Holstein model: Thermalization crossover from electron- to phonon-dominated relaxation |
Y. Murakami, P. Werner, N. Tsuji, and H. Aoki | Phys. Rev. B 91, 045128 (2015) | ||

## 2014 |
||||

First-Order Dynamical Phase Transitions |
E. Canovi, P. Werner, and M. Eckstein | Phys. Rev. Lett. 113, 265702 (2014) | ||

Supersolid Phase Accompanied by a Quantum Critical Point in the Intermediate Coupling Regime of the Holstein Model |
Y. Murakami, P. Werner, N. Tsuji, and H. Aoki | Phys. Rev. Lett. 113, 266404 (2014) | ||

Role of impact ionization in the thermalization of photoexcited Mott insulators |
P. Werner, K. Held, and M. Eckstein | Phys. Rev. B 90, 235102 (2014) | ||

Extended dynamical mean-field study of the Hubbard model with long-range interactions |
L. Huang, T. Ayral, S. Biermann, and P. Werner | Phys. Rev. B 90, 195114 (2014) | ||

Downfolding electron-phonon Hamiltonians from ab initio calculations: Application to K3 picene |
G. Giovannetti, M. Casula, P. Werner, F. Mauri, and M. Capone | Phys. Rev. B 90, 115435 (2014) | ||

Extended mean field study of complex phi^4-theory at finite density and temperature |
O. Akerlund, P. de Forcrand, A. Georges, and P. Werner | Phys. Rev. D 90, 065008 (2014) | ||

Ultrafast separation of photo-doped carriers in Mott antiferromagnets |
M. Eckstein and P. Werner | Phys. Rev. Lett. 113, 076405 (2014) | ||

Nonequilibrium dynamical cluster theory |
N. Tsuji, P. Barmettler, H. Aoki and P. Werner | Phys. Rev. B 90, 075117 (2014) | ||

Nonequilibrium dynamical mean-field theory and its applications |
H. Aoki, N. Tsuji, M. Eckstein, M. Kollar, T. Oka and P. Werner | Rev. Mod. Phys. 86, 779 (2014) | ||

Hybridization expansion Monte Carlo simulation of multi-orbital quantum impurity problems: matrix product formalism and improved Monte Carlo sampling |
H. Shinaoka, M. Dolfi, M. Troyer, and P. Werner | J. Stat. Mech. P06012 (2014) | ||

Electronic excitation spectra of the five-orbital Anderson impurity model: From the atomic limit to itinerant atomic magnetism |
L. Huang, T. Wehling, and P. Werner | Phys. Rev. B 89, 245104 (2014) | ||

## 2013 |
||||

Consistent description of the electronic structure of SrVO3 within GW+DMFT |
R. Sakuma, P. Werner and F. Aryasetiawan | Phys. Rev. B 88, 235110 (2013) | ||

Dynamical Mean Field Approximation Applied to Quantum Field Theory |
O. Akerlund, P. de Forcrand, A. Georges, and P. Werner | Phys. Rev. D 88, 125006 (2013) | ||

Nonequilibrium dynamical mean-field theory based on weak-coupling perturbation expansions: Application to dynamical symmetry breaking in the Hubbard model |
N. Tsuji and P. Werner | Phys. Rev. B 88, 165115 (2013) | ||

Phonon-enhanced relaxation and excitation in the Holstein-Hubbard model |
P. Werner and M. Eckstein | Phys. Rev. B 88, 165108 (2013) | ||

Ordered phases in the Holstein-Hubbard model: Interplay of strong Coulomb interaction and electron-phonon coupling |
Y. Murakami, P. Werner, N. Tsuji, and H. Aoki | Phys. Rev. B 88, 125126 (2013) | ||

Nonequilibrium dynamical mean field simulation of inhomogeneous systems |
M. Eckstein and P. Werner | Phys. Rev. B 88, 075135 (2013) | ||

Double Occupancy and Magnetic Susceptibility of the Anderson Impurity Model out of Equilibrium |
A. Dirks, S. Schmitt, J. E. Han, F. Anders, P. Werner, T. Pruschke | Europhys. Lett. 102, 37011 (2013) | ||

Large temperature dependence of the number of carriers in Co-doped BaFe2As2 |
V. Brouet, Ping-Hui Lin, Y. Texier, J. Bobroff, A. Taleb-Ibrahimi, P. Le Fevre, F. Bertran, M. Casula, P. Werner, S. Biermann, F. Rullier-Albenque, A. Forget, and D. Colson | Phys. Rev. Lett. 110, 167002 (2013) | ||

Long-range Coulomb interactions in surface systems: a first principles description within self-consistently combined GW and dynamical mean field theory |
P. Hansmann, T. Ayral, L. Vaugier, P. Werner and S. Biermann | Phys. Rev. Lett. 110, 166401 (2013) | ||

Dielectric breakdown of Mott insulators - doublon production and doublon heating |
M. Eckstein and P. Werner | Journal of Physics: Conference Series 427, 012005 (2013) | ||

Nonthermal antiferromagnetic order and nonequilibrium criticality in the Hubbard model |
N. Tsuji, M. Eckstein and P. Werner | Phys. Rev. Lett. 110, 136404 (2013) | ||

Screening and Non-local Correlations in the Extended Hubbard Model from Self-Consistent Combined GW and Dynamical Mean Field Theory |
T. Ayral, S. Biermann and P. Werner | Phys. Rev. B 87, 125149 (2013) | ||

Photoinduced states in a Mott insulator |
M. Eckstein and P. Werner | Phys. Rev. Lett. 110, 126401 (2013) | ||

Gauge theory of topological phases of matter |
J. Froehlich and P. Werner | Europhys. Lett. 101, 47007 (2013) | ||

Extracting spectral properties from Keldysh Green functions |
A. Dirks, M. Eckstein, T. Pruschke and P. Werner | Phys. Rev. E 87, 023305 (2013) | ||

Efficient implementation of the hybridization expansion impurity solver |
H. Hafermann, P. Werner, and E. Gull | Computer Physics Communications 184, 1280 (2013) | ||

## 2012 |
||||

Nonthermal symmetry broken states in the strongly interacting Hubbard model |
P. Werner, N. Tsuji, and M. Eckstein | Phys. Rev. B 86, 205101 (2012) | ||

Rubidium superoxide: a p-electron Mott insulator |
R. Kovacik, P. Werner, K. Dymkowski and C. Ederer | Phys. Rev. B 86, 075130 (2012) | ||

Spectral Properties of Correlated Materials: Local Vertex and Non-Local Two-Particle Correlations from Combined GW and Dynamical Mean Field Theory |
T. Ayral, P. Werner and S. Biermann | Phys. Rev. Lett. 109, 226401 (2012) | ||

Relaxation dynamics of the Kondo lattice model |
P. Werner and M. Eckstein | Phys. Rev. B 86, 045119 (2012) | ||

Low-energy models for correlated materials: bandwidth renormalization from Coulombic screening |
M. Casula, P. Werner, L. Vaughier, F. Aryasetiawan, A. J. Millis and S. Biermann | Phys. Rev. Lett. 109, 126408 (2012) | ||

From the Cooper Problem to Canted Supersolids in Bose-Fermi Mixtures |
P. Anders, P. Werner, M. Troyer, M. Sigrist and L. Pollet | Phys. Rev. Lett. 109, 206401 (2012) | ||

Repulsion-to-attraction transition in correlated electron systems triggered by a mono-cycle pulse |
N. Tsuji, T. Oka, H. Aoki and P. Werner | Phys. Rev. B 85, 155124 (2012) | ||

Improved Estimators for the Self-Energy and Vertex Function in Hybridization Expansion Continuous-Time Quantum Monte Carlo Simulations |
H. Hafermann, K. R. Patton and P. Werner | Phys. Rev. B 85, 205106 (2012) | ||

Satellites and large doping- and temperature-dependence of electronic properties in hole-doped BaFe_{2}As_{2} |
P. Werner, M. Casula, T. Miyake, F. Aryasetiawan, A. J. Millis, and S. Biermann | Nature Physics 8, 331 (2012) | ||

Magnetic susceptibility of Ce: an LDA+DMFT study |
S.V. Streltsov, E. Gull, A.O. Shorikov, M. Troyer, V.I. Anisimov, and P. Werner | Phys. Rev. B 85, 195109 (2012) | ||

Multiorbital Kondo physics of Co in Cu hosts |
B. Surer, M. Troyer, P. Werner, A. M. Laeuchli, T. O. Wehling, A. Wilhelm, and A. I. Lichtenstein | Phys. Rev. B 85, 085114 (2012) |