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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.

    Quantum Dynamics and Control Using the quantum nature of light to understand and control quantum phenomena in complex systems.

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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. Kosterlitz-Thouless scaling at many-body localization phase transitions

    Phys. Rev. B, arXiv:1811.03103, March 22, 2019

    P. Dumitrescu, Siddharth A. Parameswaran, Anna Goremykina, Maksym Serbyn, and Romain Vasseur

  2. Polarization-state-resolved high-harmonic spectroscopy of solids

    Nature Communications, arXiv:1805.10453, March 21, 2019

    Nicolai Klemke, Nicolas Tancogne-Dejean, Giulio M. Rossi, Yudong Yang, Roland E. Mainz, Giuseppe Di Sciacca, et al.

  3. On Achieving High Accuracy in Quantum Chemical Calculations of 3d Transition Metal Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules

    Journal of Chemical Theory and Computation, arXiv:1901.09464, March 18, 2019

    James Shee, Benjamin Rudshteyn, Evan J. Arthur, S. Zhang, David R. Reichman, and Richard A. Friesner

  4. Reconstructing quantum states with generative models

    Nature Machine Intelligence, arXiv:1810.10584, March 11, 2019

    Juan Carrasquilla, G. Torlai, Roger Melko, and Leandro Aolita

  5. Ground state phase diagram of the one-dimensional Bose-Hubbard model from restricted Boltzmann machines

    Proceedings of the Conference in Computational Physics 2018, arXiv:1903.03076, 2019

    Kristopher McBrian, G. Carleo, and Ehsan Khatami

  6. Density-Matrix Embedding Theory Study of the One-Dimensional Hubbard–Holstein Model

    Journal of Chemical Theory and Computation, arXiv:1811.00048, February 26, 2019

    Teresa E. Reinhard, Uliana Mordovina, Claudius Hubig, Joshua S. Kretchmer, Ulrich Schollwöck, Heiko Appel, et al.

  7. Nonadiabatic quantum dynamics without potential energy surfaces

    Physical Review Materials, arXiv:1805.11169, February 22, 2019

    Guillermo Albareda, Aaron Kelly, and A. Rubio

  8. Custodial glide symmetry of quantum spin Hall edge modes in monolayer WTe2

    Physical Review B, arXiv:1811.00551, February 20, 2019

    Seulgi Ok, L. Muechler, Domenico Di Sante, Giorgio Sangiovanni, Ronny Thomale, and Titus Neupert

  9. Nano-Resolved Current-Induced Insulator-Metal Transition in the Mott Insulator Ca_2 RuO_4

    Physical Review X, February 15, 2019

    Jiawei Zhang, Alexander S. McLeod, Qiang Han, Xinzhong Chen, Hans A. Bechtel, Ziheng Yao, et al.

  10. Unraveling materials Berry curvature and Chern-Simons numbers from real-time evolution of Bloch states

    Proceedings of the National Academy of Sciences, arXiv:1809.07439, February 14, 2019

    Dongbin Shin, Shunsuke A. Sato, Hannes Hübener, Umberto De Giovannini, Jeongwoo Kim, A. Rubio, et al.

  11. Mechanism and Control Parameters of the Coupled Structural and Metal-Insulator Transition in Nickelates

    Physical Review B, arXiv:1809.03720, February 12, 2019

    Oleg E. Peil, A. Hampel, Claude Ederer, and A. Georges

  12. Deep autoregressive models for the efficient variational simulation of many-body quantum systems

    arXiv:1902.04057, 2019

    Or Sharir, Yoav Levine, Noam Wies, G. Carleo, and Amnon Shashua

  13. Metric-wave approach to flexoelectricity within density-functional perturbation theory

    Physical Review B, arXiv:1811.12893, February 5, 2019

    Andrea Schiaffino, C. Dreyer, David Vanderbilt, and Massimiliano Stengel

  14. Auxiliary Field Quantum Monte Carlo for Multiband Hubbard Models: Controlling the Sign and Phase Problems to Capture Hund's Physics

    arXiv:1902.01463, February 4, 2019

    Hongxia Hao, Brenda M. Rubenstein, and H. Shi

  15. Absence of dissipationless transport in clean 2D superconductors

    Nature Physics, arXiv:1901.09310, January 27, 2019

    A. Benyamini, E. J. Telford, D. M. Kennes, D. Wang, A. Williams, K. Watanabe, et al.

  16. Disconnected elementary band representations, fragile topology, and Wilson loops as topological indices: An example on the triangular lattice

    Physical Review B, arXiv:1807.09729, January 25, 2019

    Barry Bradlyn, Zhijun Wang, J. Cano, and B. Andrei Bernevig

  17. Optical signatures of Dirac nodal lines in NbAs\(_2\)

    Proceedings of the National Academy of Sciences, arXiv:1806.01996, January 22, 2019

    Yinming Shao, Zhiyuan Sun, Ying Wang, Chenchao Xu, Raman Sankar, Alexander J. Breindel, et al.

  18. Parameter transferability, self-doping, and metallicity in LaNiO 3 / LaMnO 3 superlattices

    Physical Review B, 2019

    Alejandro Lopez-Bezanilla, Louis-François Arsenault, Anand Bhattacharya, Peter B. Littlewood, and A. Millis

  19. Superradiant Quantum Materials

    Physical Review Letters, arXiv:1804.08534, January 9, 2019

    Giacomo Mazza and A. Georges

  20. Finite-temperature auxiliary-field quantum Monte Carlo: Self-consistent constraint and systematic approach to low temperatures

    Phys. Rev. B, arXiv:1811.07290, January 3, 2019

    Y. He, Mingpu Qin, H. Shi, Zhong-Yi Lu, and S. Zhang

  21. Visualizing the Nonlinear Coupling between Strain and Electronic Nematicity in the Iron Pnictides by Elasto-Scanning Tunneling Spectroscopy

    arXiv:1812.05287, December 13, 2018

    Erick F. Andrade, Ayelet Notis Berger, Ethan P. Rosenthal, Xiaoyu Wang, Lingyi Xing, Xiancheng Wang, et al.

  22. Dressed-Orbital Approach to Cavity Quantum Electrodynamics and Beyond

    arXiv:1812.00388, December 2, 2018

    S. E. B. Nielsen, C. Schäfer, M. Ruggenthaler, and A. Rubio

  23. Defect identification based on first-principles calculations for deep level transient spectroscopy

    Applied Physics Letters, November 8, 2018

    Darshana Wickramaratne, C. Dreyer, Bartomeu Monserrat, Jimmy-Xuan Shen, John L. Lyons, Audrius Alkauskas, et al.

  24. In-situ strain-tuning of the metal-insulator-transition of Ca2RuO4 in angle-resolved photoemission experiments

    Nature Communications, arXiv:1803.00488, October 31, 2018

    S. Riccò, M. Kim, A. Tamai, S. McKeown Walker, F. Y. Bruno, I. Cucchi, et al.

  25. Symmetries and many-body excited states with neural-network quantum states

    Physical Review Letters, 2018

    Kenny Choo, G. Carleo, and Titus Neupert

  26. Ab initio simulation of attosecond transient absorption spectroscopy in two-dimensional materials

    Applied Sciences, arXiv:1809.01408, September 30, 2018

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

  27. Multi-sliced Gausslet Basis Sets for Electronic Structure

    arxiv:1809.10258, September 26, 2018

    S. White and M. Stoudenmire

  28. Intermolecular Coupling and Superconductivity in Chevrel Phase Compounds

    arXiv:1809.07000, 2018

    Jia Chen, A. Millis, and David R. Reichman

  29. Loschmidt-amplitude wave function spectroscopy and the physics of dynamically driven phase transitions

    arXiv:1809.00733, 2018

    Dante M. Kennes, Christoph Karrasch, and A. Millis

  30. Tracking the quantized information transfer at the edge of a chiral Floquet phase

    Phys. Rev. B, arXiv:1804.02004, August 30, 2018

    Blake R. Duschatko, P. Dumitrescu, and Andrew C. Potter

  31. Noncommutativity between the low-energy limit and integer dimension limits in the ε-expansion: A case study of the antiferromagnetic quantum critical metal

    Physical Review B, arXiv:1805.05252, August 23, 2018

    A Schlief, P. Lunts, and S.-S. Lee

  32. Theoretical understanding of photon spectroscopies in correlated materials in and out of equilibrium

    Nature Reviews Materials, arXiv:1809.01617, 2018

    Yao Wang, M. Claassen, Chaitanya Das Pemmaraju, Chunjing Jia, Brian Moritz, and Thomas P. Devereaux

  33. Neural-network states for the classical simulation of quantum computing

    arXiv:1808.05232, 2018

    Bjarni Jónsson, Bela Bauer, and G. Carleo

  34. Single-atom-resolved probing of lattice gases in momentum space

    Phys. Rev. A, arXiv:1710.08392, 2018

    Hugo Cayla, Cécile Carcy, Quentin Bouton, Rockson Chang, G. Carleo, Marco Mancini, et al.

  35. Voltage induced metal-insulator transition in 1D charge density wave

    arXiv:1807.09249, 2018

    Giuliano Chiriacò and A. Millis

  36. Nature of the metal-insulator transition in few-unit-cell-thick LaNiO3 films

    arXiv:1806.07224, 2018

    Maryam Golalikhani, Qun-li Lei, Ravini U. Chandrasena, Leila Kasaei, Hyunggyu Park, Jianming Bai, et al.

  37. Metal-insulator transition in the ground-state of the three-band Hubbard model at half-filling

    arXiv:1807.06139, July 16, 2018

    Ettore Vitali, H. Shi, Adam Chiciak, and S. Zhang

  38. Role of intraband transitions in photocarrier generation

    Physical Review B, arXiv:1804.03678, July 5, 2018

    Shunsuke A. Sato, Matteo Lucchini, Mikhail Volkov, Fabian Schlaepfer, Lukas Gallmann, Ursula Keller, et al.

  39. Universal Scaling Laws for Correlation Spreading in Quantum Systems with Short- and Long-Range Interactions

    Phys. Rev. B, arXiv:1706.00838, 2018

    Lorenzo Cevolani, Julien Despres, G. Carleo, Luca Tagliacozzo, and Laurent Sanchez-Palencia

  40. Kinetic-Energy Density-Functional Theory on a Lattice

    Journal of Chemical Theory and Computation, arXiv:1803.10823, July 3, 2018

    Iris Theophilou, Florian Buchholz, F. G. Eich, Michael Ruggenthaler, and A. Rubio

  41. Learning hard quantum distributions with variational autoencoders

    npj Quantum Information, arXiv:1710.00725, 2018

    Andrea Rocchetto, Edward Grant, Sergii Strelchuk, G. Carleo, and Simone Severini

  42. Transient superconductivity without superconductivity

    arXiv:1806.06645, 2018

    Giuliano Chiriacò, A. Millis, and Igor L. Aleiner

  43. Magnetic orders in the hole doped three-band Hubbard model: spin spirals, nematicity, and ferromagnetic domain walls

    Physical Review B, arXiv:1805.05969, June 15, 2018

    Adam Chiciak, Ettore Vitali, H. Shi, and S. Zhang

  44. Ab Initio Electronic Structure Calculations by Auxiliary-Field Quantum Monte Carlo

    Handbook of Materials Modeling : Methods: Theory and Modeling, arXiv:1807.06688, June 15, 2018

    S. Zhang

  45. Magnetic orders in the hole-doped three-band Hubbard model: Spin spirals, nematicity, and ferromagnetic domain walls

    PHYSICAL REVIEW B, arXiv:1805.05969, June 15, 2018

    Adam Chiciak, Ettore Vitali, H. Fang, and Shiwei Zhang

  46. Electronic structure, magnetism and exchange integrals in transition metal oxides: role of the spin polarization of the functional in DFT+U calculations

    Physical Review B, arXiv:1712.03907, May 3, 2018

    Samara Keshavarz, Johan Schött, A. Millis, and Yaroslav O. Kvashnin

  47. Topological order in the pseudogap metal

    PNAS, arXiv:1711.09925, April 17, 2018

    Mathias S. Scheurer, Shubhayu Chatterjee, Wei Wu, Michel Ferrero, A. Georges, and Subir Sachdev

  48. Transient charge and energy flow in the wide-band limit

    Journal of Chemical Theory and Computation, arXiv:1801.08440v1, 2018

    F. Covito, F. G. Eich, R. Tuovinen, M. A. Sentef, and A. Rubio

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