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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. Dynamical obstruction to localization in a disordered spin chain

    arxiv:2009.04501, November 1, 2021

    D. Sels and A. Polkovnikov

  2. Universality in the onset of quantum chaos in many-body systems

    arxiv:2012.07849, November 1, 2021

    Tyler LeBlond, D. Sels, A. Polkovnikov, and Marcos Rigol

  3. Topological Materials Discovery from Crystal Symmetry

    arxiv:2106.00709, November 1, 2021

    Benjamin J. Wieder, Barry Bradlyn, J. Cano, Zhijun Wang, Maia G. Vergniory, Luis Elcoro, et al.

  4. Band manipulation and spin texture in interacting moiré helical edges

    arxiv:2106.05270, November 1, 2021

    Yang-Zhi Chou, J. Cano, and J. H. Pixley

  5. Nature of unconventional pairing in the kagome superconductors AV

    arxiv:2104.05671, October 1, 2021

    Xianxin Wu, Tilman Schwemmer, Tobias Müller, Armando Consiglio, Giorgio Sangiovanni, D. Di Sante, et al.

  6. Sensing strain-induced symmetry breaking by reflectance anisotropy spectroscopy

    arxiv:2105.03846, October 1, 2021

    M. Volpi, S. Beck, A. Hampel, H. Galinski, A. Sologubenko, and R. Spolenak

  7. Optical activation and detection of charge transport between individual colour centres in diamond

    arxiv:2110.1227, October 1, 2021

    Artur Lozovoi, Harishankar Jayakumar, Damon Daw, Gyorgy Vizkelethy, Edward Bielejec, Marcus W. Doherty, et al.

  8. Magnetic photocurrents in multifold Weyl fermions

    arxiv:2107.05106, October 1, 2021

    Sahal Kaushik and J. Cano

  9. Tight distance-dependent estimators for screening two-center and three-center short-range Coulomb integrals over Gaussian basis functions

    arxiv:2107.09704, September 1, 2021

    Hong-Zhou Ye and Timothy C. Berkelbach

  10. Design and realization of topological Dirac fermions on a triangular lattice

    arxiv:2106.16025, September 1, 2021

    Maximilian Bauernfeind, Jonas Erhardt, Philipp Eck, Pardeep K. Thakur, Judith Gabel, Tien-Lin Lee, et al.

  11. From high-T

    arxiv:2101.04689, September 1, 2021

    Michael Klett, Tilman Schwemmer, Sebastian Wolf, Xianxin Wu, David Riegler, Andreas Dittmaier, et al.

  12. Quantum sampling algorithms, phase transitions, and computational complexity

    arxiv:2109.03007, September 1, 2021

    Dominik S. Wild, D. Sels, Hannes Pichler, Cristian Zanoci, and Mikhail D. Lukin

  13. Quantum Sampling Algorithms for Near-Term Devices

    arxiv:2005.14059, September 1, 2021

    Dominik S. Wild, D. Sels, Hannes Pichler, Cristian Zanoci, and Mikhail D. Lukin

  14. Absorption Spectra of Solids from Periodic Equation-of-Motion Coupled-Cluster Theory

    arxiv:2107.04740, September 1, 2021

    X. Wang and Timothy C. Berkelbach

  15. Tree tensor-network real-time multiorbital impurity solver: Spin-orbit coupling and correlation functions in Sr

    arxiv:2103.05545, September 1, 2021

    Y. Lu, P. Hansmann, and M. W. Haverkort

  16. Investigation of photon emitters in Ce-implanted hexagonal boron nitride

    arxiv:2110.00895, September 1, 2021

    Gabriel I. López-Morales, Mingxing Li, A. Hampel, Sitakanta Satapathy, Nicholas V. Proscia, Harishankar Jayakumar, et al.

  17. Improving MP2 bandgaps with low-scaling approximations to EOM-CCSD

    arxiv:2105.11564, August 1, 2021

    Malte F. Lange and Timothy C. Berkelbach

  18. Interplay between breathing-mode distortions and magnetic order in rare-earth nickelates from ab initio magnetic models

    arxiv:2103.08412, August 1, 2021

    Danis I. Badrtdinov, A. Hampel, and Cyrus E. Dreyer

  19. Hartree-Fock study of the moiré Hubbard model for twisted bilayer transition metal dichalcogenides

    arxiv:2105.11883, August 1, 2021

    Jiawei Zang, J. Wang, J. Cano, and Andrew J. Millis

  20. Machine learning band gaps from the electron density

    arxiv:2104.14351, August 1, 2021

    Javier Robledo Moreno, J. Flick, and A. Georges

  21. Realizing a dynamical topological phase in a trapped-ion quantum simulator

    arXiv:2107.09676, July 21, 2021

    P. Dumitrescu, Justin Bohnet, John Gaebler, Aaron Hankin, David Hayes, Ajesh Kumar, et al.

  22. Single-particle excitations in the uniform electron gas by diagrammatic Monte Carlo

    arxiv:2012.03146, 2021

    K. Haule and K. Chen

  23. Dynamical correlation energy of metals in large basis sets from downfolding and composite approaches

    arxiv:2103.06180, June 1, 2021

    James M. Callahan, Malte F. Lange, and Timothy C. Berkelbach

  24. Momentum-space signatures of Berry flux monopoles in the Weyl semimetal TaAs

    arxiv:2012.06996, June 1, 2021

    M. Ünzelmann, H. Bentmann, T. Figgemeier, P. Eck, J. N. Neu, B. Geldiyev, et al.

  25. A magnon scattering platform

    arxiv:2004.07763, June 1, 2021

    Tony X. Zhou, Joris J. Carmiggelt, Lisa M. Gächter, Ilya Esterlis, D. Sels, Rainer J. Stöhr, et al.

  26. Muonium hydride: The lowest density crystal

    arxiv:2103.04245, May 1, 2021

    Youssef Kora, Massimo Boninsegni, D. Son, and S. Zhang

  27. Simulations of Trions and Biexcitons in Layered Hybrid Organic-Inorganic Lead Halide Perovskites

    arxiv:2010.10542, May 1, 2021

    Yeongsu Cho, Samuel M. Greene, and Timothy C. Berkelbach

  28. Optimal control for quantum metrology via Pontryagin’s principle

    arxiv:2105.06931, May 1, 2021

    Chungwei Lin, Yanting Ma, and D. Sels

  29. Designing and controlling the properties of transition metal oxide quantum materials

    Nature Materials, arxiv:, May 1, 2021

    Charles Ahn, Andrea Cavalleri, A. Georges, Sohrab Ismail-Beigi, A. Millis, and Jean-Marc Triscone

  30. Dependence of DFT+DMFT results on the construction of the correlated orbitals

    arxiv:2102.08522, May 1, 2021

    Jonathan Karp, A. Hampel, and Andrew J. Millis

  31. Low rank compression in the numerical solution of the nonequilibrium Dyson equation

    SciPost Physics, arxiv:2010.06511, April 26, 2021

    J. Kaye and D. Golez

  32. The Hubbard model on the Bethe lattice via variational uniform tree states: metal-insulator transition and a Fermi liquid

    Physical Review Research, arxiv: 2010.06543, April 19, 2021

    P. Lunts, A. Georges, M. Stoudenmire, and M. Fishman

  33. Variational Monte Carlo calculations of A≤4 nuclei with an artificial neural-network correlator ansatz

    Phys. Rev. Lett., arxiv:2007.14282, April 13, 2021

    Corey Adams, G. Carleo, Alessandro Lovato, and Noemi Rocco

  34. Fast periodic Gaussian density fitting by range separation

    arxiv:2102.02989, April 1, 2021

    Hong-Zhou Ye and Timothy C. Berkelbach

  35. Tracking the Footprints of Spin Fluctuations: A Multi-Method, Multi-Messenger Study of the Two-Dimensional Hubbard Model

    Phys. Rev. X, arxiv:2006.10769, 2021

    Thomas Schäfer, N. Wentzell, Fedor Šimkovic IV, Y. He, Cornelia Hille, Marcel Klett, et al.

  36. Planckian Metal at a Doping-Induced Quantum Critical Point

    arXiv:2103.08607, 2021

    P. Dumitrescu, N. Wentzell, A. Georges, and O. Parcollet

  37. Enhanced tunable second harmonic generation from twistable interfaces and vertical superlattices in boron nitride homostructures

    Science Advances, arxiv:https://advances.sciencemag.org/content/7/10/eabe8691.full.pdf, March 3, 2021

    Kaiyuan Yao, Nathan R. Finney, Jin Zhang, Samuel L. Moore, Lede Xian, Nicolas Tancogne-Dejean, et al.

  38. Constrained-path auxiliary-field quantum Monte Carlo for coupled electrons and phonons

    arxiv:2012.13473, March 1, 2021

    Joonho Lee, S. Zhang, and D. Reichman

  39. Programmable hyperbolic polaritons in van der Waals semiconductors

    Science, arxiv:https://science.sciencemag.org/content/371/6529/617.full.pdf, 2021

    A. J. Sternbach, S. H. Chae, S. Latini, A. A. Rikhter, Y. Shao, B. Li, et al.

  40. Tunable chiral symmetry breaking in symmetric Weyl materials

    Physical Review B, arxiv:2011.00970, February 3, 2021

    Sahal Kaushik, Evan John Philip, and J. Cano

  41. Ab initio electronic density in solids by many-body plane-wave auxiliary-field quantum Monte Carlo calculations

    arxiv:2011.08335, February 1, 2021

    Siyuan Chen, M. Motta, Fengjie Ma, and S. Zhang

  42. Charge density wave and superconductivity in the disordered Holstein model

    arxiv:1910.08703, February 1, 2021

    B. Xiao, N. C. Costa, E. Khatami, G. G. Batrouni, and R. T. Scalettar

  43. In silico prediction of annihilators for triplet–triplet annihilation upconversion via auxiliary-field quantum Monte Carlo

    Chemical Science, arxiv:N/A, February 1, 2021

    John L. Weber, Emily M. Churchill, Steffen Jockusch, Evan J. Arthur, Andrew B. Pun, S. Zhang, et al.

  44. Moiré heterostructures as a condensed-matter quantum simulator

    Nature Physics, arxiv:2011.12638, February 1, 2021

    Dante M. Kennes, M. Claassen, Lede Xian, A. Georges, A. Millis, James Hone, et al.

  45. Pseudo-BCS wave function from density matrix decomposition: Application in auxiliary-field quantum Monte Carlo

    Physical Review Research, arxiv:2010.06055, January 21, 2021

    Zhi-Yu Xiao, H. Shi, and S. Zhang

  46. Excited states in variational Monte Carlo using a penalty method

    The Journal of Chemical Physics, arxiv:2009.13556, January 15, 2021

    Shivesh Pathak, B. Busemeyer, João N. B. Rodrigues, and L. Wagner

  47. Topological Charge Pumping in Excitonic Insulators

    Physical Review Letters, arxiv:2008.00134, January 12, 2021

    Zhiyuan Sun and A. Millis

  48. Moiré metrology of energy landscapes in van der Waals heterostructures

    Nature Communications, arxiv:2008.04835, January 11, 2021

    D. Halbertal, Nathan R. Finney, Sai S. Sunku, Alexander Kerelsky, Carmen Rubio-Verdú, Sara Shabani, et al.

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