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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. Transverse instability and universal decay of spin spiral order in the Heisenberg model

    arxiv:2011.07058, February 1, 2022

    Joaquin F. Rodriguez-Nieva, Alexander Schuckert, D. Sels, Michael Knap, and E. Demler

  2. Fluctuation-induced quantum friction in nanoscale water flows

    arxiv:2105.03413, February 1, 2022

    N. Kavokine, Marie-Laure Bocquet, and Lydéric Bocquet

  3. Nano-spectroscopy of excitons in atomically thin transition metal dichalcogenides

    Nature Communications, January 27, 2022

    Shuai Zhang, Baichang Li, Xinzhong Chen, Francesco L. Ruta, Yinming Shao, Aaron J. Sternbach, et al.

  4. On the Origin of Coulomb Pseudopotential: Two Wrongs Make a "Right"

    arxiv:2207.05238, 2022

    Tao Wang, Xiansheng Cai, K. Chen, Boris V. Svistunov, and Nikolay V. Prokof'ev

  5. Topological band inversion in HgTe(001): surface and bulk signatures from photoemission

    arxiv:2212.05425, 2022

    Raphael C. Vidal, Giovanni Marini, Lukas Lunczer, Simon Moser, Lena Fürst, Chris Jozwiak, et al.

  6. Chiral surface superconductivity in half-Heusler semimetals

    arxiv:2212.09786, 2022

    Tilman Schwemmer, D. Di Sante, Jörg Schmalian, and Ronny Thomale

  7. Pair Density Wave Order from Electron Repulsion

    arxiv:2209.09254, 2022

    Yi-Ming Wu, P. A. Nosov, Aavishkar A. Patel, and S. Raghu

  8. Dirac electron under periodic magnetic field: Platform for fractional Chern insulator and generalized Wigner crystal

    arxiv:2208.10516, 2022

    Junkai Dong, J. Wang, and L. Fu

  9. Origin of Model Fractional Chern Insulators in All Topological Ideal Flatbands: Explicit Color-entangled Wavefunction and Exact Density Algebra

    arxiv:2210.13487, 2022

    J. Wang, Semyon Klevtsov, and Zhao Liu

  10. Bipolaronic superconductivity out of a Coulomb gas

    arxiv:2210.14236, 2022

    J. Sous, C. Zhang, M. Berciu, D. R. Reichman, B. V. Svistunov, N. V. Prokof'ev, et al.

  11. Coupling of Magnetic Phases at Nickelate Interfaces

    arxiv:2211.06811, 2022

    C. Doḿinguez, J. Fowlie, A. B. Georgescu, B. Mundet, N. Jaouen, M. Viret, et al.

  12. Planckian behavior of cuprate superconductors: Reconciling the scaling of optical conductivity with resistivity and specific heat

    arxiv:2205.04030, 2022

    B. Michon, C. Berthod, C. W. Rischau, A. Ataei, L. Chen, S. Komiya, et al.

  13. Origin and fate of the pseudogap in the doped Hubbard model

    arxiv:2209.09237, 2022

    Fedor Simkovic, R. Rossi, A. Georges, and M. Ferrero

  14. Scalable neural quantum states architecture for quantum chemistry

    arxiv:2208.05637, 2022

    Tianchen Zhao and J. Stokes

  15. Toward Neural Network Simulation of Variational Quantum Algorithms

    arxiv:2211.02929, 2022

    Oliver Knitter and James Stoke

  16. Evidence of a 2D Electron Gas in a Single-Unit-Cell of Anatase TiO2 (001)

    arxiv:, 2022

    Alessandro Troglia, Chiara Bigi, Ivana Vobornik, Jun Fujii, Daniel Knez, Regina Ciancio, et al.

  17. A density-matrix renormalization group algorithm for simulating quantum circuits with a finite fidelity

    arxiv:2207.05612, 2022

    Thomas Ayral, Thibaud Louvet, Yiqing Zhou, Cyprien Lambert, E. Miles Stoudenmire, and Xavier Waintal

  18. Supermoiré low-energy effective theory of twisted trilayer graphene

    arxiv:2210.11507, 2022

    Yuncheng Mao, D. Guerci, and Christophe Mora

  19. On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond

    arxiv:10.26434/chemrxiv-2022-cw19h, 2022

    James Shee, John Weber, David Reichman, Richard Friesner, and S. Zhang

  20. Unidirectional subsystem symmetry in a hole-doped honeycomb-lattice Ising magnet

    arxiv:2210.00012, 2022

    Sambuddha Sanyal, A. Wietek, and John Sous

  21. The Generalized Green's function Cluster Expansion: A Python package for simulating polarons

    arxiv:2210.12260, 2022

    Matthew R. Carbone, Stepan Fomichev, Andrew J. Millis, Mona Berciu, D. Reichman, and John Sous

  22. Generalization and Overfitting in Matrix Product State Machine Learning Architectures

    arxiv:2208.04372, 2022

    A. Strashko and E. Miles Stoudenmire

  23. Absence of localization in interacting spin chains with a discrete symmetry

    arxiv:2208.13793, 2022

    B. Kloss, Jad C. Halimeh, Achilleas Lazarides, and Yevgeny Bar Lev

  24. Bose-Einstein condensation in honeycomb dimer magnets and Yb

    arxiv:2209.00032, 2022

    C. Feng, E. Miles Stoudenmire, and A. Wietek

  25. Triple electron–electron–proton excitations and second-order approximations in nuclear–electronic orbital coupled cluster methods

    arxiv:2206.13616, 2022

    F. Pavosevic and Sharon Hammes-Schiffer

  26. Generative modeling via tensor train sketching

    arxiv:2202.11788, 2022

    YH. Hur, J. G. Hoskins, M. Lindsey, E. M. Stoudenmire, and Y. Khoo

  27. Spin-orbit induced equilibrium spin currents in materials

    arxiv:2109.03790, January 1, 2022

    Andrea Droghetti, Ivan Rungger, A. Rubio, and Ilya V. Tokatly

  28. Emergence of a low-energy excitonic state in single layer WS2 with 1H/1T phase mixture

    arxiv:2209.12873, 2022

    John M. Woods, Saroj B. Chand, Enrique Mejia, Takashi Taniguchi, Kenji Watanabe, J. Flick, et al.

  29. Transport signatures of Fermi arcs at twin boundaries in Weyl materials

    arxiv:2207.14109, 2022

    Sahal Kaushik, Iñigo Robredo, Nitish Mathur, Leslie M. Schoop, Song Jin, Maia G. Vergniory, et al.

  30. Experimental verification of the area law of mutual information in a quantum field simulator

    arxiv:2206.10563, 2022

    Mohammadamin Tajik, Ivan Kukuljan, Spyros Sotiriadis, Bernhard Rauer, Thomas Schweigler, Federica Cataldini, et al.

  31. Recipe for higher-order topology on the triangular lattice

    arxiv:2207.01359, 2022

    Philipp Eck, Yuan Fang, D. Di Sante, Giorgio Sangiovanni, and J. Cano

  32. Atomically Sharp Internal Interface in a Chiral Weyl Semimetal Nanowire

    arxiv:2212.13688, 2022

    Nitish Mathur, Fang Yuan, Guangming Cheng, Sahal Kaushik, Iñigo Robredo, Maia G. Vergniory, et al.

  33. The Quantum Fourier Transform Has Small Entanglement

    arxiv:2210.08468, 2022

    Jielun Chen, E. M. Stoudenmire, and S. White

  34. Topological and stacked flat bands in bilayer graphene with a superlattice potential

    arxiv:2206.13501, 2022

    Sayed Ali Akbar Ghorashi, Aaron Dunbrack, Jiacheng Sun, Xu Du, and J. Cano

  35. Nanometer-Scale Lateral p--n Junctions in Graphene/α-RuCl

    arxiv:2111.06933, 2022

    Daniel J. Rizzo, Sara Shabani, Bjarke S. Jessen, Jin Zhang, Alexander S. McLeod, Carmen Rubio-Verdú, et al.

  36. The twist angle has weak influence on charge separation and strong influence on recombination in the MoS2/WS2 bilayer: ab initio quantum dynamics

    arxiv:, 2022

    Yonghao Zhu, Wei-Hai Fang, A. Rubio, Run Long, and Oleg V. Prezhdo

  37. solid dmft: gray-boxing DFT+DMFT materials simulations with TRIQS

    arxiv:, 2022

    Maximilian E. Merkel, Alberto Carta, S. Beck, and A. Hampel

  38. Multilayer graphene with a superlattice potential

    arxiv:2212.12549, 2022

    Sayed Ali Akbar Ghorashi and J. Cano

  39. Symmetry indicators in commensurate magnetic flux

    arxiv:2209.10557, 2022

    Yuan Fang and J. Cano

  40. Multicomponent Orbital-Optimized Perturbation Theory with Density Fitting: Anharmonic Zero-Point Energies in Protonated Water Clusters

    arxiv:, 2022

    Jonathan H. Fetherolf, F. Pavosevic, Zhen Tao, and Sharon Hammes-Schiffer

  41. Accurate Kohn-Sham auxiliary system from the ground state density of solids

    arxiv:2207.03919, 2022

    Ayoub Aouina, Matteo Gatti, Siyuan Chen, S. Zhang, and Lucia Reining

  42. Projection-based Density Matrix Renormalization Group in Density Functional Theory Embedding

    arxiv:2210.16289, 2022

    Pavel Beran, Katarzyna Pernal, F. Pavosevic, and Libor Veis

  43. Towards unitary dynamics of large two-dimensional quantum rotor models

    arxiv:2212.11289, 2022

    Matija Medvidović and D. Sels

  44. Interfacial doping in LaVO

    arxiv:2212.10601, 2022

    S. Beck and Claude Ederer

  45. Catalysis in Click Chemistry Reactions Controlled by Cavity Quantum Vacuum Fluctuations: The Case of endo/exo Diels-Alder Reaction

    arxiv:2208.06925, 2022

    F. Pavosevic, Robert L. Smith, and A. Rubio

  46. Automatic, high-order, and adaptive algorithms for Brillouin zone integration

    arxiv:2211.12959, 2022

    J. Kaye, S. Beck, A. Barnett, Lorenzo Van Muñoz, and O. Parcollet

  47. Real space representation of topological system: twisted bilayer graphene as an example

    arxiv:2210.11573, 2022

    J. Zang, J. Wang, A. Georges, J. Cano, and Andrew J. Millis

  48. Solving 2D and 3D lattice models of correlated fermions -- combining matrix product states with mean field theory

    arxiv:2207.03754, 2022

    Gunnar Bollmark, Thomas Köhler, Lorenzo Pizzino, Yiqi Yang, H. Shi, Johannes S. Hofmann, et al.

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