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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. Interaction-enhanced nesting in Spin-Fermion and Fermi-Hubbard models

    arxiv:2402.13238, 2024

  2. Exchange energies with forces in density-functional theory

    arxiv:https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0177346/18290112/024103_1_5.0177346.pdf, January 1, 2024

    A. Rubio

  3. Equilibrium non-linear phononics by electric field fluctuations of terahertz cavities

    arxiv:2409.19063, 2024

    A. Rubio

  4. LiV2O4: Hund-Assisted Orbital-Selective Mottness

    arxiv:2409.17268, 2024

    O. Parcollet, U. Schollwöck, A. Georges, and A. Hampel

  5. Cavity Spectroscopy for Strongly Correlated Systems

    arxiv:2410.21515, 2024

    A. Rubio

  6. Photon Many-body Dispersion: an Exchange-correlation Functional for Strongly Coupled Light-matter Systems

    arxiv:2404.04765, 2024

    J. Flick

  7. Efficient time dependent Wannier functions for ultrafast dynamics

    arxiv:2410.21230, 2024

    A. Rubio

  8. Insulator-to-Metal Transition and Anomalously Slow Hot Carrier Cooling in a Photo-doped Mott Insulator

    arxiv:2406.07355, 2024

    A. Rubio

  9. A general framework for Monte Carlo simulations in Julia

    arxiv:2408.03386, 2024

    L. Weber

  10. Beyond Electric-Dipole Treatment of Light-Matter Interactions in Materials: Nondipole Harmonic Generation in Bulk Si

    arxiv:2410.18547, 2024

    A. Rubio

  11. Efficiency of neural quantum states in light of the quantum geometric tensor

    arxiv:2402.01565, 2024

    M. Ferrero and A. Georges

  12. Cavity electrodynamics of van der Waals heterostructures

    arxiv:2403.19745, 2024

    A. Rubio

  13. Hydroelectric energy conversion of waste flows through hydroelectronic drag

    arxiv:2403.20209, 2024

    N. Kavokine

  14. Efficient prediction of superlattice and anomalous miniband topology from quantum geometry

    arxiv:2406.17843, 2024

    V. Crépel and J. Cano

  15. Full minimal coupling Maxwell-TDDFT: an ab initio framework for light-matter phenomena beyond the dipole approximation

    arxiv:2409.08959, 2024

    A. Rubio

  16. Good plasmons in a bad metal

    arxiv:2406.05703, 2024

    Francesco L. Ruta, Yinming Shao, Swagata Acharya, Anqi Mu, Na Hyun Jo, Sae Hee Ryu, et al.

  17. Charge transfer spin-polarons and ferromagnetism in weakly doped AB-stacked TMD heterobilayers

    arxiv:2411.05908, 2024

    D. Guerci, J. Pixley, and A. Millis

  18. Theory of intervalley-coherent AFM order and topological superconductivity in tWSe

    arxiv:2412.14296, 2024

    Ammon Fischer, Lennart Klebl, V. Crépel, Siheon Ryee, A. Rubio, Lede Xian, et al.

  19. Berry Phase Dynamics of Sliding Electron Crystals

    arxiv:2412.03399, 2024

    Y. Zeng

  20. Emergent polaronic correlations in doped spin liquids

    arxiv:2408.02190, 2024

    H. Shackleton and S. Zhang

  21. Insulator-to-Metal Transition and Anomalously Slow Hot Carrier Cooling in a Photo-doped Mott Insulator

    arxiv:2406.07355, 2024

    A. Rubio

  22. On-demand heralded MIR single-photon source using a cascaded quantum system

    arxiv:2405.12777, 2024

    A. Rubio

  23. Cavity engineered phonon-mediated superconductivity in MgB

    arxiv:2404.08122, 2024

    A. Rubio

  24. Hydroelectric energy conversion of waste flows through hydroelectronic drag

    arxiv:2403.20209, 2024

    N. Kavokine

  25. Optical signatures of dynamical excitonic condensates

    arxiv:2410.22116, 2024

    D. Golez

  26. Chiral Spin Liquid and Quantum Phase Transition in the Triangular Lattice Hofstadter-Hubbard Model

    arxiv:2406.15348, 2024

    V. Crépel and A. Millis

  27. LiV2O4: Hund-Assisted Orbital-Selective Mottness

    arxiv:2409.17268, 2024

    O. Parcollet, U. Schollwöck, A. Georges, and A. Hampel

  28. Correlation effects in magic-angle twisted bilayer graphene: An auxiliary-field quantum Monte Carlo study

    arxiv:2405.17808, 2024

    S. Zhang

  29. Stoner instabilities and Ising excitonic states in twisted transition metal dichalcogenides

    arxiv:2405.17316, 2024

    J. Zang

  30. Probing the magnetic origin of the pseudogap using a Fermi-Hubbard quantum simulator

    arxiv:2412.17801, 2024

    A. Wietek and A. Georges

  31. Intertwined Superconductivity and Magnetism from Repulsive Interactions in Kondo Bilayers

    arxiv:2408.02847, 2024

    D. Kiese and M. Claassen

  32. Analytic Model Reveals Local Molecular Polarizability Changes Induced by Collective Strong Coupling in Optical Cavities

    arxiv:2401.16374, 2024

    A. Rubio

  33. Efficient prediction of superlattice and anomalous miniband topology from quantum geometry

    arxiv:2406.17843, 2024

    V. Crépel and J. Cano

  34. Electrical Transport in the Hatsugai-Kohmoto Model

    arxiv:2407.00156, 2024

    D. Guerci

  35. Learning interactions between Rydberg atoms

    arxiv:2412.12019, 2024

    A. Dawid, J. Tindall, M. Ferrero, and A. Georges

  36. Exchange energies with forces in density-functional theory

    arxiv:https://pubs.aip.org/aip/jcp/article-pdf/doi/10.1063/5.0177346/18290112/024103_1_5.0177346.pdf, January 1, 2024

    A. Rubio

  37. Relativistic Linear Response in Quantum-Electrodynamical Density Functional Theory

    arxiv:2407.02441, 2024

    A. Rubio

  38. Speak so a physicist can understand you! TetrisCNN for detecting phase transitions and order parameters

    arxiv:2411.02237, 2024

    A. Georges and A. Dawid

  39. Learning tensor networks with tensor cross interpolation: new algorithms and libraries

    arxiv:2407.02454, 2024

    M. Jeannin and O. Parcollet

  40. Efficient time dependent Wannier functions for ultrafast dynamics

    arxiv:2410.21230, 2024

    A. Rubio

  41. Nature of metallic and insulating domains in the CDW system 1T-TaSe2

    arxiv:2411.18205, 2024

  42. Full minimal coupling Maxwell-TDDFT: an ab initio framework for light-matter phenomena beyond the dipole approximation

    arxiv:2409.08959, 2024

    A. Rubio

  43. Bosonic Entanglement and Quantum Sensing from Energy Transfer in two-tone Floquet Systems

    arxiv:2410.11158, 2024

    A. Rubio and G. Refael

  44. Fast Scrambling at the Boundary

    arxiv:2407.13617, 2024

    A. Georges

  45. Beyond Electric-Dipole Treatment of Light-Matter Interactions in Materials: Nondipole Harmonic Generation in Bulk Si

    arxiv:2410.18547, 2024

    A. Rubio

  46. Engineering 2D square lattice Hubbard models in 90° twisted Ge/SnX (X=S, Se) moiré supperlattices

    arxiv:2406.05626, 2024

    M. Claassen and A. Rubio

  47. Equilibrium non-linear phononics by electric field fluctuations of terahertz cavities

    arxiv:2409.19063, 2024

    A. Rubio

  48. Bounding speedup of quantum-enhanced Markov chain Monte Carlo

    arxiv:2403.03087, 2024

    D. Sels

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