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    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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Computational Quantum Physics

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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.

    Software Developing, optimizing and supporting codes that implement key algorithms for many-body quantum 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. Sublattice Structure and Topology in Spontaneously Crystallized Electronic States

    arxiv:2402.17867v1, June 1, 2024

    Y. Zeng, D. Guerci, V. Crépel, and J. Cano

  2. High-harmonic spectroscopy of strongly bound excitons in solids

    arxiv:2307.14693, June 1, 2024

    A. Rubio

  3. Sublattice Structure and Topology in Spontaneously Crystallized Electronic States

    arxiv:2402.17867v1, June 1, 2024

    Y. Zeng, D. Guerci, V. Crépel, and J. Cano

  4. High-harmonic spectroscopy of strongly bound excitons in solids

    arxiv:2307.14693, June 1, 2024

    A. Rubio

  5. Dynamical quasicondensation in the weakly interacting Fermi-Hubbard model

    arxiv:2402.16604, May 1, 2024

    A. Rubio

  6. Semiempirical ab initio modeling of bound states of deep defects in semiconductor quantum technologies

    arxiv:, May 1, 2024

    YunHeng Chen, Lachlan Oberg, J. Flick, Artur Lozovoi, Carlos A. Meriles, and Marcus W. Doherty

  7. Limitations of mean-field approximations in describing shift-current and injection-current in materials

    arxiv:2310.08875, May 1, 2024

    A. Rubio

  8. Electron-photon exchange-correlation approximation for quantum-electrodynamical density-functional theory

    arxiv:2402.09794, May 1, 2024

    A. Rubio

  9. Electron-photon exchange-correlation approximation for quantum-electrodynamical density-functional theory

    arxiv:2402.09794, May 1, 2024

    A. Rubio

  10. Limitations of mean-field approximations in describing shift-current and injection-current in materials

    arxiv:2310.08875, May 1, 2024

    A. Rubio

  11. The Hund-metal path to strong electronic correlations

    arxiv:2411.15909, April 1, 2024

    A. Georges and G. Kotliar

  12. Adequacy of the dynamical mean field theory for low density and Dirac materials

    arxiv:2312.11693, March 1, 2024

  13. Metal-Insulator Transition in a Semiconductor Heterobilayer Model

    arxiv:2306.14954, February 1, 2024

    S. Zhang

  14. Efficient tensor network simulation of IBM's Eagle kicked Ising experiment

    PRX Quantum, January 23, 2024

    J. Tindall, M. Fishman, M. Stoudenmire, and D. Sels

  15. Solving combinatorial optimization problems through stochastic Landau-Lifshitz-Gilbert dynamical systems

    arxiv:2407.00530, 2024

    D. Sels

  16. Quantum Electrodynamics in High-Harmonic Generation: Multitrajectory Ehrenfest and Exact Quantum Analysis

    arxiv:2409.13614, 2024

    A. Rubio

  17. Nonlinear Current Injection in Hexagonal Boron Nitride using Linearly Polarized Light in a Deeply Off-Resonant Regime

    arxiv:, 2024

    A. Rubio

  18. Cavity Born--Oppenheimer approximation for molecules and materials via electric field response

    arxiv:, 2024

    J. Bonini, I. Ahmadabadi, and J. Flick

  19. Quantum enhanced Markov chains require fine-tuned quenches

    arxiv:2408.07881, 2024

    D. Sels

  20. Emergent Optical Resonances in Atomically Phase-Patterned Semiconducting Monolayers of WS2

    arxiv:, 2024

    J. Flick

  21. Re-entrant phase transitions induced by localization of zero-modes

    arxiv:2408.05339, 2024

    D. Sels

  22. Probing electric-dipole-enabled transitions in the excited state of the nitrogen-vacancy center in diamond

    arxiv:2405.16280, 2024

    J. Flick

  23. Photo-Induced Charge State Dynamics of the Neutral and Negatively Charged Silicon Vacancy Centers in Room-Temperature Diamond

    arxiv:2403.10941, 2024

    G Garcia-Arellano, GI López-Morales, NB Manson, J. Flick, AA Wood, and CA Meriles

  24. Quantum many-body simulations with PauliStrings.jl

    arxiv:2410.09654, 2024

    D. Sels

  25. Quantum materials engineering by structured cavity vacuum fluctuations

    arxiv:, 2024

    Hannes Hübener, Emil Viñas Boström, M. Claassen, Simone Latini, and A. Rubio

  26. Universal semiclassical dynamics in disordered two-dimensional systems

    arxiv:2409.12956, 2024

    Lukasz Iwanek, Marcin Mierzejewski, A. Polkovnikov, D. Sels, and Adam S. Sajna

  27. The liquid-liquid phase transition of hydrogen and its critical point: Analysis from ab initio simulation and a machine-learned potential

    arxiv:2412.14953, 2024

  28. Photoinduced charge injection from shallow point defects in diamond into water

    arxiv:, 2024

    J. Flick

  29. Probing Correlation of Optical Emission and Defect Sites in Hexagonal Boron Nitride by High-Resolution STEM-EELS

    arxiv:, 2024

    J. Flick

  30. Ranking species in complex ecosystems through nestedness maximization

    arxiv:, 2024

    D. Sels

  31. Light-Induced Ideal Weyl Semimetal in HgTe via Nonlinear Phononics

    arxiv:2311.09583, January 1, 2024

    A. Rubio

  32. Hydrodynamics beyond the wall

    arxiv:, 2024

    N. Kavokine

  33. Enhancement of high-order harmonic generation in graphene by mid-infrared and terahertz fields

    arxiv:, January 1, 2024

    A. Rubio

  34. Doping-dependent charge-and spin-density wave orderings in a monolayer of Pb adatoms on Si (111)

    arxiv:2301.07162, 2024

    A. Rubio

  35. Hot electron effect in high-order harmonic generation from graphene driven by elliptically polarized light

    arxiv:, 2024

    A. Rubio

  36. Phonon-mediated unconventional superconductivity in rhombohedral stacked multilayer graphene

    arxiv:, 2024

    A. Rubio

  37. Quantum embedding study of strain and charge induced Stark effects on the NV

    arxiv:2406.07772, 2024

    J. Flick

  38. 2D Theoretically Twistable Material Database

    arxiv:2411.09741, 2024

    M. Claassen, N. Regnault, A. Rubio, and B. Bernevig

  39. Linear resistivity at van Hove singularities in twisted bilayer WSe2

    arxiv:, 2024

    M. Claassen

  40. A Toffoli Gadget for Magnetic Tunnel Junctions Boltzmann Machines

    arxiv:2411.00203, 2024

    D. Sels

  41. Photonic time-crystalline behaviour mediated by phonon squeezing in T a 2 N i S e 5

    arxiv:2207.08851, 2024

    A. Rubio and E. Demler

  42. Benchmarking Functionals for Strong-Field Light-Matter Interactions in Adiabatic Time-Dependent Density Functional Theory

    arxiv:, 2024

    A. Rubio

  43. Unraveling a Cavity-Induced Molecular Polarization Mechanism from Collective Vibrational Strong Coupling

    arxiv:2306.06004, 2024

    A. Rubio

  44. Re-entrant phase transitions induced by localization of zero-modes

    arxiv:2408.05339, 2024

    D. Sels

  45. Re-entrant phase transitions induced by localization of zero-modes

    arxiv:2408.05339, 2024

    D. Sels

  46. Two-dimensional Topological Quantum Chemistry and Catalog of Topological Materials

    arxiv:2411.08950, 2024

    B. Bernevig and N. Regnault

  47. Universal Moiré-Model-Building Method without Fitting: Application to Twisted MoTe

    arxiv:2411.08108, 2024

    N. Regnault and B. Bernevig

  48. Electronic interactions in Dirac fluids visualized by nano-terahertz spacetime interference of electron-photon quasiparticles

    arxiv:https://www.science.org/doi/pdf/10.1126/sciadv.ado5553, 2024

    R. Queiroz

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