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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. Robustness of Trion State in Gated Monolayer MoSe2 under Pressure

    arxiv:, October 1, 2023

    A. Rubio

  2. Non-Linear Optics at Twist Interfaces in h-BN/SiC Heterostructures

    arxiv:2304.12312, October 1, 2023

    A. Rubio

  3. Slowly decaying zero mode in a weakly nonintegrable boundary impurity model

    arxiv:2305.11325, October 1, 2023

    D. Sels and A. Mitra

  4. Attractive Su-Schrieffer-Heeger-Hubbard model on a square lattice away from half-filling

    arxiv:2308.03846, October 1, 2023

    C. Feng

  5. Understanding polaritonic chemistry from ab initio quantum electrodynamics

    arxiv:2211.04241, September 1, 2023

    A. Rubio

  6. High-harmonic spectroscopy of low-energy electron-scattering dynamics in liquids

    arxiv:2203.03617, September 1, 2023

    A. Rubio

  7. High-harmonic generation in liquids with few-cycle pulses: effect of laser-pulse duration on the cut-off energy

    arxiv:2210.07736, September 1, 2023

    A. Rubio

  8. Interfacing Branching Random Walks with Metropolis Sampling: Constraint Release in Auxiliary-Field Quantum Monte Carlo

    arxiv:2305.09575, September 1, 2023

    H. Shi and S. Zhang

  9. Cavity-renormalized quantum criticality in a honeycomb bilayer antiferromagnet

    arxiv:2302.08528, September 1, 2023

    M. Claassen and A. Rubio

  10. Ideal Chern bands are Landau levels in curved space

    arxiv:2304.01251, September 1, 2023

    V. Crépel

  11. Combining Electron-Phonon and Dynamical Mean-Field Theory Calculations of Correlated Materials: Transport in the Correlated Metal Sr

    arxiv:2304.06771, September 1, 2023

    A. Georges

  12. Normative framework for deriving neural networks with multi-compartmental neurons and non-Hebbian plasticity

    arXiv:2302.10051, 2023

    D. Lipshutz, Y. Bahroun, S. Golkar, A. Sengupta, and D. Chklovskii

  13. A fast time domain solver for the equilibrium Dyson equation

    Advances in Computational Mathematics, 2023

    J. Kaye and Hugo U. R. Strand

  14. Spin-Flip Unitary Coupled Cluster Method: Toward Accurate Description of Strong Electron Correlation on Quantum Computers

    arxiv:2307.07092, August 1, 2023

    F. Pavosevic and A. Rubio

  15. Simple extension of the plane-wave final state in photoemission: Bringing understanding to the photon-energy dependence of two-dimensional materials

    arxiv:, August 1, 2023

    A. Rubio

  16. Time-dependent ghost Gutzwiller nonequilibrium dynamics

    arxiv:2303.09584, August 1, 2023

    D. Guerci

  17. Enhancement of charge density wave correlations in a Holstein model with an anharmonic phonon potential

    arxiv:2303.13708, August 1, 2023

  18. Low-Scaling Algorithm for the Random Phase Approximation Using Tensor Hypercontraction with k-point Sampling

    arxiv:2306.04880, August 1, 2023

    C. Yeh

  19. Chiral model of twisted bilayer graphene realized in a monolayer

    arxiv:2305.14423, August 1, 2023

    V. Crépel, D. Guerci, J. Bonini, and J. Cano

  20. Pressure-enhanced fractional Chern insulators along a magic line in moiré transition metal dichalcogenides

    arxiv:2304.06669, August 1, 2023

    J. Wang, E. Kaxiras, C. Repellin, and J. Cano

  21. Topological superconductivity in doped magnetic moirè semiconductors

    arxiv:2304.01631, August 1, 2023

    V. Crépel, D. Guerci, J. Cano, and A. Millis

  22. Generative modeling via tensor train sketching

    Applied and Computational Harmonic Analysis, July 26, 2023

    Yoonhaeng Hur, Jeremy G. Hoskins, Michael Lindsey, M. Stoudenmire, and Yuehaw Khoo

  23. Unlocking the Potential of Similarity Matching: Scalability, Supervision and Pre-training

    International Conference on Machine Learning, 2023

    Y. Bahroun, Shagesh Sridharan, Atithi Acharya, D. Chklovskii, and A. Sengupta

  24. Many-body delocalization from embedded thermal inclusion

    arxiv:2303.02748, July 1, 2023

    D. Sels

  25. Nonequilibrium correlation dynamics in the one-dimensional Fermi-Hubbard model: A testbed for the two-particle reduced density matrix theory

    arxiv:2303.04576, July 1, 2023

    B. Kloss and A. Rubio

  26. Spin-valley magnetism on the triangular moiré lattice with SU(4) breaking interactions

    arxiv:2303.01244, July 1, 2023

    D. Kiese and S. Trebst

  27. Chirality selective magnon-phonon hybridization and magnon-induced chiral phonons in a layered zigzag antiferromagnet

    arxiv:2302.10656, June 1, 2023

    A. Rubio and Q. Zhang

  28. Protected spin-orbit induced absorption divergence in distorted Landau levels

    arxiv:2303.01286, June 1, 2023

    A. Rubio

  29. Toward an accurate equation of state and B1-B2 phase boundary for magnesium oxide up to terapascal pressures and electron-volt temperatures

    arxiv:2307.01359, June 1, 2023

  30. Tensor train continuous time solver for quantum impurity models

    arxiv:2303.11199, June 1, 2023

  31. Non-perturbative many-body treatment of molecular magnets

    arxiv:2303.09010, June 1, 2023

    S. Zhang

  32. Intrinsically multilayer moiré heterostructures

    arxiv:301.01777, June 1, 2023

    J. Cano

  33. Low rank Green's function representations applied to dynamical mean-field theory

    arxiv:2301.07764, June 1, 2023

    A. Hampel, S. Beck, O. Parcollet, N. Wentzell, J. Kaye, and K. Chen

  34. Electron cooling in graphene enhanced by plasmon-hydron resonance

    arxiv:2301.05095, June 1, 2023

    N. Kavokine

  35. Bose-Einstein condensation in honeycomb dimer magnets and Yb2Si2O7

    Physical Review B, May 30, 2023

    C. Feng, M. Stoudenmire, and A. Wietek

  36. Floquet-Bloch resonances in near-petahertz electroabsorption spectroscopy of SiO

    arxiv:, May 1, 2023

  37. Time-resolved plasmon-assisted generation of optical-vortex pulses

    arxiv:, May 1, 2023

    A. Rubio

  38. Inelastic Light Scattering in the Vicinity of a Single-Atom Quantum Point Contact in a Plasmonic Picocavity

    arxiv:, May 1, 2023

    A. Rubio

  39. Detection and Modeling of Hole Capture by Single Point Defects under Variable Electric Fields

    arxiv:2306.01572, May 1, 2023

    J. Flick

  40. Conductivity of infinite-layer NdNiO

    arxiv:2303.06046, May 1, 2023

    H. LaBollita and A. Hampel

  41. Computation of forces and stresses in solids: towards accurate structural optimizations with auxiliary-field quantum Monte Carlo

    arxiv:2302.07460, May 1, 2023

    S. Zhang

  42. Generative Modeling via Hierarchical Tensor Sketching

    arXiv:2304.05305, April 11, 2023

    Yifan Peng, Yian Chen, M. Stoudenmire, and Yuehaw Khoo

  43. Density-Matrix Renormalization Group Algorithm for Simulating Quantum Circuits with a Finite Fidelity

    PRX Quantum, April 10, 2023

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

  44. The spontaneous symmetry breaking in Ta2NiSe5 is structural in nature

    arxiv:, April 1, 2023

    A. Rubio and E. Demler

  45. Exchange torque in noncollinear spin density functional theory with a semilocal exchange functional

    arxiv:2208.07729, April 1, 2023

    A. Rubio

  46. Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers

    arxiv:2302.03052, April 1, 2023

    F. Pavosevic and A. Rubio

  47. Floquet engineering with quantum optimal control theory

    arxiv:, April 1, 2023

    A. Rubio

  48. Ultrafast electron localization and screening in a transition metal dichalcogenide

    arxiv:2210.05465, April 1, 2023

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