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    Theory and Methods Developing the methods and algorithms to make the quantum many-body problem tractable.

    Quantum Materials Combining chemical realism with many-electron physics to develop predictive theories of many-electron properties.

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Flatiron Institute Computational Quantum Physics

Computational Quantum Physics: Publications

Read the latest papers published by our researchers.

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  1. Towards Quantum Machine Learning with Tensor Networks

    arxiv:1803.11537, April 1, 2018

    William Huggins, Piyush Patel, K. Birgitta Whaley, and M. Stoudenmire

  2. Dynamical mean-field theory on the real-frequency axis: p−d hybridization and atomic physics in SrMnO3

    Phys. Rev. B, arXiv:1712.08055, March 27, 2018

    D. Bauernfeind, R. Triebl, M. Zingl, M. Aichhorn, and H. G. Evertz

  3. All-optical nonthermal pathway to stabilizing magnetic Weyl semimetals in pyrochlore iridates

    arXiv:1803.07447v1, 2018

    Gabriel E. Topp, Nicolas Tancogne-Dejean, Alexander F. Kemper, A. Rubio, and Michael A. Sentef

  4. Light-Matter Response Functions in Quantum-Electrodynamical Density-Functional Theory: Modifications of Spectra and of the Maxwell Equations

    arXiv:1803.02519v1, 2018

    Johannes Flick, Davis M. Welakuh, Michael Ruggenthaler, Heiko Appel, and A. Rubio

  5. From a quantum-electrodynamical light-matter description to novel spectroscopies

    Nature Reviews Chemistry, March 7, 2018

    Michael Ruggenthaler, Nicolas Tancogne-Dejean, Johannes Flick, Heiko Appel, and A. Rubio

  6. Propagators for the time-dependent Kohn-Sham equations: multistep, Runge-Kutta, exponential Runge-Kutta, and commutator free Magnus methods

    arXiv:1803.02113, 2018

    A. G. Pueyo, M. A. L. Marques, A. Rubio, and Alberto Castro

  7. Coupled charge and spin dynamics in a photo-excited Mott insulator

    arXiv:1803.02071, March 6, 2018

    Nikolaj Bittner, Denis Golež, H. Strand, Martin Eckstein, and Philipp Werner

  8. Cavity quantum-electrodynamical polaritonically enhanced superconductivity

    arXiv:1802.09437v1, 2018

    M. A. Sentef, M. Ruggenthaler, and A. Rubio

  9. Constructing exact representations of quantum many-body systems with deep neural networks

    arXiv:1802.09558, 2018

    G. Carleo, Yusuke Nomura, and Masatoshi Imada

  10. Neural-network quantum state tomography

    Nature Physics, arXiv:1703.05334, 2018

    Giacomo Torlai, Guglielmo Mazzola, Juan Carrasquilla, Matthias Troyer, Roger Melko, and G. Carleo

  11. First-principles simulations for attosecond photoelectron spectroscopy based on time-dependent density functional theory

    arXiv:1802.08619v1, 2018

    Shunsuke A. Sato, Hannes Hübener, A. Rubio, and Umberto De Giovannini

  12. Resummation of diagrammatic series with zero convergence radius for strongly correlated fermions

    arXiv:1802.07717, February 21, 2018

    R. Rossi, Takahiro Ohgoe, Kris Van Houcke, and Félix Werner

  13. Atomic-like high-harmonic generation from two-dimensional materials

    Science Advances, February 16, 2018

    Nicolas Tancogne-Dejean and A. Rubio

  14. Direct sampling of the self-energy with Connected Determinant Monte Carlo

    arXiv:1802.04743, February 13, 2018

    R. Rossi

  15. Phonon-driven spin-Floquet magneto-valleytronics in MoS2

    Nature Communications, February 12, 2018

    Dongbin Shin, Hannes Hübener, Umberto De Giovannini, Hosub Jin, A. Rubio, and Noejung Park

  16. Pseudogap and electronic structure of electron-doped Sr2IrO4

    arXiv:1801.08835, January 26, 2018

    Alice Moutenet, A. Georges, and M. Ferrero

  17. Phonon Driven Floquet Matter

    Nano Letters, arXiv:1801.00599, January 23, 2018

    Hannes Hübener, Umberto De Giovannini, and A. Rubio

  18. Enhanced pairing susceptibility in a photo-doped two-orbital Hubbard model

    arXiv:1801.07053, arXiv:1801.07053, January 22, 2018

    Philipp Werner, H. Strand, Shintaro Hoshino, Yuta Murakami, and Martin Eckstein

  19. Self-energy functional theory with symmetry breaking for disordered lattice bosons

    arXiv:1801.07274, arXiv:1801.07274, January 22, 2018

    Dario Hügel, H. Strand, and Lode Pollet

  20. Floquet Engineering in Quantum Chains

    arXiv:1801.06885, 2018

    D. M.Kennes, A. de la Torre, A. Ron, D. Hsieh, and A. Millis

  21. Lattice Energetics and Correlation-Driven Metal-Insulator Transitions: the Case of Ca2RuO4

    Physical Review Letters, arXiv:1801.06215, 2018

    Qiang Han and A. Millis

  22. Expansion of a quantum wave packet in a one-dimensional disordered potential in the presence of a uniform bias force

    Physical Review A, arXiv:1710.05595v3, January 16, 2018

    C. Crosnier de Bellaistre, C. Trefzger, A. Aspect, A. Georges, and L. Sanchez-Palencia

  23. Evidence of an improper displacive phase transition in Cd2Re2O7 via time-resolved coherent phonon spectroscopy

    Physical Review Letters, arXiv:1801.05439, January 16, 2018

    J. W. Harter, D. M. Kennes, H. Chu, A. de la Torre, Z. Y. Zhao, J.-Q. Yan, et al.

  24. Coherent excitations revealed and calculated

    Science, January 12, 2018

    A. Georges

  25. Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State

    ACS Photonics, arXiv:1704.03884, January 9, 2018

    Johannes Flick, Christian Schäfer, Michael Ruggenthaler, Heiko Appel, and A. Rubio

  26. Benchmarking nonequilibrium Green's functions against configuration interaction for time-dependent Auger decay processes

    arxiv:1810.01725, 2018

    Fabio Covito, Enrico Perfetto, A. Rubio, and Gianluca Stefanucci

  27. Real-time dynamics of Auger wave packets and decays in ultrafast charge migration processes

    arxiv:, 2018

    F. Covito, E. Perfetto, A. Rubio, and G. Stefanucci

  28. Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

    arxiv:, 2018

    Shunsuke A. Sato, Aaron Kelly, and A. Rubio

  29. From a quantum-electrodynamical light--matter description to novel spectroscopies

    arxiv:, 2018

    Michael Ruggenthaler, Nicolas Tancogne-Dejean, J. Flick, Heiko Appel, and A. Rubio

  30. Learning Relevant Features of Data with Multi-scale Tensor Networks

    Quantum Science and Technology, arxiv:1801.00315, January 1, 2018

  31. Accurate computations of Rashba spin-orbit coupling in interacting systems: from the Fermi gas to real materials

    Journal of Physics and Chemistry of Solids, arXiv:1710.00887, 2017

    Peter Rosenberg, H. Shi, and Shiwei Zhang

  32. Spin-Orbit Coupling and Electronic Correlations in Sr2RuO4

    arXiv:1707.02462, December 18, 2017

    Minjae Kim, Jernej Mravlje, M. Ferrero, and A. Georges

  33. Surface Piezoelectricity and Strain-Dependent Surface Distortions in Sapphire

    arXiv:1712.03915, December 11, 2017

    A. Georgescu and Sohrab Ismail-Beigi

  34. Ultrafast modification of Hubbard U in a strongly correlated material: ab initio high-harmonic generation in NiO

    Physical Review Letters, arXiv:1712.01067v1, 2017

    Nicolas Tancogne-Dejean, Michael Sentef, and A. Rubio

  35. Pseudogap and Fermi surface topology in the two-dimensional Hubbard model

    arXiv:1707.06602, November 29, 2017

    W. Wu, Mathias S. Scheurer, Shubhayu Chatterjee, S. Sachdev, A. Georges, and M. Ferrero

  36. Topological order in the pseudogap metal

    arXiv:1711.09925, November 27, 2017

    Mathias S. Scheurer, Shubhayu Chatterjee, W. Wu, M. Ferrero, and S. Sachdev

  37. Renormalization of effective interactions in a negative charge transfer insulator

    Physical Review B, arXiv:1707.09820v1, November 21, 2017

    Priyanka Seth, Oleg E. Peil, Leonid Pourovskii, Markus Betzinger, Christoph Friedrich, O. Parcollet, et al.

  38. Symmetry breaking in occupation number based slave-particle methods

    Physical Review B, arXiv:1702.03381, October 17, 2017

    A. Georgescu and Sohrab Ismail-Beigi

  39. Monte Carlo Tensor Network Renormalization

    arxiv:1710.03757, October 10, 2017

    William Huggins, C. Daniel Freeman, Norm M. Tubman, and Birgitta Whaley

  40. Anisotropic Harper-Hofstadter-Mott model: Competition between condensation and magnetic fields

    Phys. Rev. B, arXiv:1609.03760, August 22, 2017

    Dario Hügel, H. Strand, Philipp Werner, and Lode Pollet

  41. Control of hidden ground-state order in NdNiO3 superlattices

    Physical Review Materials, July 27, 2017

    Ankit S. Disa, A. Georgescu, James L. Hart, Divine P. Kumah, Padraic Schafer, Elke Arenholz, et al.

  42. Ultrafast doublon dynamics in photo-excited 1T-TaS2

    arXiv:1702.05300, June 27, 2017

    Manuel Ligges, Isabella Avigo, Denis Golež, H. Strand, Ljupka Stojchevska, Matthias Kalläne, et al.

  43. Nonequilibrium GW+EDMFT: Antiscreening and Inverted Populations from Nonlocal Correlations

    Phys. Rev. Lett., arXiv:1702.04952, June 15, 2017

    Denis Golež, Lewin Boehnke, H. Strand, Martin Eckstein, and Philipp Werner

  44. Ultrafast switching of composite order in A_3 C_60

    Phys. Rev. B, arXiv:1612.09584, May 5, 2017

    Philipp Werner, H. Strand, Shintaro Hoshino, and Martin Eckstein

  45. Hund's coupling driven photo-carrier relaxation in the two-band Mott insulator

    Phys. Rev. B, arXiv:1704.06101, April 20, 2017

    H. Strand, Denis Golež, Martin Eckstein, and Philipp Werner

  46. Bosonic self-energy functional theory

    Phys. Rev. B, arXiv:1603.01401, November 9, 2016

    Dario Hügel, Philipp Werner, Lode Pollet, and H. Strand

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