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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. Emergent flat band and topological Kondo semimetal driven by orbital-selective correlations

    arxiv:2212.08017, 2022

    Lei Chen, Fang Xie, Shouvik Sur, Haoyu Hu, Silke Paschen, J. Cano, et al.

  2. Numerical and geometrical aspects of flow-based variational quantum Monte Carlo

    arxiv:2203.14824, 2022

    J. Stokes and Brian Chen

  3. Disentangling Interacting Systems with Fermionic Gaussian Circuits: Application to the Single Impurity Anderson Model

    arxiv:2212.09798, 2022

    Ang-Kun Wu, Matthew T. Fishman, J. H. Pixley, and E. M. Stoudenmire

  4. Universal theory of strange metals from spatially random interactions

    arxiv:2203.04990, 2022

    Aavishkar A. Patel, Haoyu Guo, Ilya Esterlis, and S. Sachdev

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

    arxiv:2210.16289, 2022

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

  6. First-principles modelling for time-resolved ARPES under different pump--probe conditions

    arxiv:2109.03790, 2022

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

  7. Detecting multiple chirality centers in chiral molecules with high harmonic generation

    arxiv:2110.05307, January 1, 2022

    Ofer Neufeld, Omri Wengrowicz, Or Peleg, A. Rubio, and Oren Cohen

  8. Chiral Kondo Lattice in Doped MoTe

    arxiv:2207.06476, 2022

    D. Guerci, J. Wang, J. Zang, J. Cano, J. H. Pixley, and A. Millis

  9. A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity

    arxiv:2108.12244, 2022

    Dominik Sidler, Michael Ruggenthaler, Christian Schäfer, Enrico Ronca, and A. Rubio

  10. A new Hall for quantum protection

    arxiv:PMID:35239370, 2022

    A. Rubio

  11. Entangled Biphoton Enhanced Double Quantum Coherence Signal as a Probe for Cavity Polariton Correlations in Presence of Phonon Induced Dephasing

    arxiv:2205.15698, 2022

    Arunangshu Debnath and A. Rubio

  12. Mott transition, Widom line, Frenkel line and pseudogap in the half-filled triangular lattice Hubbard model

    arxiv:2207.08008, 2022

    P. -O. Downey, O. Gingras, M. Charlebois, C. -D. Hébert, and A. -M. S. Tremblay

  13. Distinct spin and orbital dynamics in Sr

    arxiv:2212.00245, 2022

    H. Suzuki, L. Wang, J. Bertinshaw, H. U. R. Strand, S. Käser, M. Krautloher, et al.

  14. TMDs as a platform for spin liquid physics: A strong coupling study of twisted bilayer WSe

    arxiv:2110.10179, 2022

    D. Kiese, Yuchi He, Ciarán Hickey, A. Rubio, and Dante M. Kennes

  15. Extracting Off-Diagonal Order from Diagonal Basis Measurements

    arxiv:2209.10565, 2022

    B. Xiao, Javier Robledo Moreno, M. Fishman, D. Sels, Ehsan Khatami, and Richard Scalettar

  16. Higher-Order Nodal Hinge States in Doped Superconducting Topological Insulator

    arxiv:2211.00682, 2022

    Sayed Ali Akbar Ghorashi, J. Cano, Enrico Rossi, and Taylor L. Hughes

  17. The Oscura Experiment

    arxiv:2202.10518, 2022

    Alexis Aguilar-Arevalo, et al.

  18. Frequency splitting of chiral phonons from broken time reversal symmetry in CrI

    arxiv:2208.14593, 2022

    J. Bonini, S. Ren, D. Vanderbilt, Massimiliano Stengel, C. Dreyer, and Sinisa Coh

  19. Interaction confinement and electronic screening in two-dimensional nanofluidic channels

    arxiv:2206.02591, 2022

    N. Kavokine, Paul Robin, and Lydéric Bocquet

  20. Quantum feedback at the solid-liquid interface: flow-induced electronic current and negative friction

    arxiv:2205.03250, 2022

    Baptiste Coquinot, Lydéric Bocquet, and N. Kavokine

  21. Strong electronic winds blowing under liquid flows on carbon surfaces

    arxiv:2205.05037, 2022

    Alice Marcotte, Mathieu Lizee, Baptiste Coquinot, N. Kavokine, Karen Sobnath, Clément Barraud, et al.

  22. Exploring nonequilibrium phases of photo-doped Mott insulators with generalized Gibbs ensembles

    arxiv:2105.13560, January 1, 2022

    Yuta Murakami, Shintaro Takayoshi, Tatsuya Kaneko, Zhiyuan Sun, D. Golez, Andrew J. Millis, et al.

  23. Infrared Plasmons Propagate through a Hyperbolic Nodal Metal

    arxiv:2206.01828, 2022

    Yinming Shao, Aaron J. Sternbach, Brian S. Y. Kim, Andrey A. Rikhter, Xinyi Xu, Umberto De Giovannini, et al.

  24. Ab initio Calculations in Atoms, Molecules, and Solids, Treating Spin-Orbit Coupling and Electron Interaction on Equal Footing

    arxiv:2110.10201, January 1, 2022

    Brandon Eskridge, Henry Krakauer, H. Shi, and S. Zhang

  25. Quantifying the role of antiferromagnetic fluctuations in the superconductivity of the doped Hubbard model

    arxiv:2202.10577, 2022

    Xinyang Dong, E. Gull, and Andrew. J. Millis

  26. Temperature Dependence of Spin and Charge Orders in the Doped Two-Dimensional Hubbard Model

    arxiv:2202.11741, 2022

    B. Xiao, Y. He, A. Georges, and S. Zhang

  27. Full-frequency dynamical Bethe–Salpeter equation without frequency and a study of double excitations

    arxiv:2110.03850, January 1, 2022

    Sylvia J. Bintrim and Timothy C. Berkelbach

  28. Dark-Exciton Driven Energy Funneling into Dielectric Inhomogeneities in Two-Dimensional Semiconductors

    arxiv:2202.04492, 2022

    Haowen Su, Ding Xu, Shan-Wen Cheng, Baichang Li, Song Liu, Kenji Watanabe, et al.

  29. Deep Learning the Functional Renormalization Group

    arxiv:2202.13268, 2022

    D. Di Sante, Matija Medvidović, Alessandro Toschi, Giorgio Sangiovanni, Cesare Franchini, Anirvan M. Sengupta, et al.

  30. Deconvolving the components of the sign problem

    arxiv:2108.00553, January 1, 2022

    S. Tarat, B. Xiao, R. Mondaini, and R. T. Scalettar

  31. Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification

    arxiv:2201.12164, 2022

    Samuel M. Greene, Robert J. Webber, James E. T. Smith, Jonathan Weare, and Timothy C. Berkelbach

  32. Near-Exact Nuclear Gradients of Complete Active Space Self-Consistent Field Wave Functions

    arxiv:2201.06514, 2022

    James E. T. Smith, Joonho Lee, and Sandeep Sharma

  33. Coexistence of Even- and Odd-Frequency Superconductivity in Correlated Multi-Orbital Systems with Spin-Orbit Coupling

    arxiv:2201.08918, 2022

    O. Gingras, Nikita Allaglo, Reza Nourafkan, Michel Côté, and André-Marie S. Tremblay

  34. Dynamical Mean Field Studies of Infinite Layer Nickelates: Physics Results and Methodological Implications

    arxiv:2201.02852, 2022

    Hanghui Chen, A. Hampel, Jonathan Karp, Frank Lechermann, and Andrew J. Millis

  35. Interfacial charge transfer and persistent metallicity of ultrathin SrIrO3/SrRuO3 heterostructures

    arxiv:, 2022

    Jocienne N. Nelson, Nathaniel J. Schreiber, Alexandru B. Georgescu, Berit H. Goodge, Brendan D. Faeth, Christopher T. Parzyck, et al.

  36. Frequency-dependent Inter-pseudospin Solutions to Superconducting Strontium Ruthenate

    arxiv:2201.08917, 2022

    O. Gingras, Nikita Allaglo, Reza Nourafkan, Michel Côté, and André-Marie S. Tremblay

  37. Substituents affect the mechanism of photochemical E-Z isomerization of diarylethene triazoles via adiabatic singlet excited state pathway or via triplet excited state

    arxiv:, 2022

    Milena Mlakić, Leo Mandić, Nikola Basarić, Branka Mihaljević, F. Pavosevic, and Irena Škorić

  38. Photocatalytic water oxidation on SrTiO

    arxiv:2201.13443, 2022

    Vidushi Sharma, Benjamin Bein, Amanda Lai, Betül Pamuk, Cyrus E. Dreyer, Marivi Fernández-Serra, et al.

  39. Strain-tuned topological phase transition and unconventional Zeeman effect in ZrTe5 microcrystals

    arxiv:2201.04049, 2022

    Apurva Gaikwad, Song Sun, Peipei Wang, Liyuan Zhang, J. Cano, Xi Dai, et al.

  40. Twofold van Hove singularity and origin of charge order in topological kagome superconductor CsV3Sb5

    arxiv:2105.01689, January 1, 2022

    Mingu Kang, Shiang Fang, Jeong-Kyu Kim, Brenden Ortiz, Sae Hee Ryu, Jimin Kim, et al.

  41. Common microscopic origin of the phase transitions in Ta

    arxiv:2105.13924, 2022

    Lukas Windgätter, Malte Rösner, Giacomo Mazza, Hannes Hübener, A. Georges, Andrew J. Millis, et al.

  42. Neural optimal feedback control with local learning rules

    NeurIPS, 2021

    D. Chklovskii, S. Golkar, S. Farashahi, J. Friedrich, A. Genkin, and A. Sengupta

  43. Exact Landau Level Description of Geometry and Interaction in a Flatband

    arxiv:2105.07491, December 1, 2021

    J. Wang, J. Cano, Andrew J. Millis, Zhao Liu, and Bo Yang

  44. Classification of Dirac points with higher-order Fermi arcs

    arxiv:2109.01670, December 1, 2021

    Yuan Fang and J. Cano

  45. Gauge equivariant neural networks for quantum lattice gauge theories

    PRL, arxiv:2012.05232, 2021

    Di Luo, G. Carleo, Bryan K. Clark, and J. Stokes

  46. A Normative and Biologically Plausible Algorithm for Independent Component Analysis

    NeurIPS, 2021

    D. Chklovskii, Y. Bahroun, and A. Sengupta

  47. Shadow tomography based on informationally complete positive operator-valued measure

    Physical Review A, arxiv:2105.05992, November 16, 2021

    Atithi Acharya, Siddhartha Saha, and A. Sengupta

  48. Comparing the effective enhancement of local and nonlocal spin-orbit couplings on honeycomb lattices due to strong electronic correlations

    arxiv:2107.02576, November 1, 2021

    Markus Richter, Johannes Graspeuntner, Thomas Schäfer, N. Wentzell, and Markus Aichhorn

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