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Bringing people and ideas together to fund, conduct, and share transformative science.

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  1. Core binding energies of solids with periodic EOM-CCSD

    arxiv:2508.00168, 2025

  2. Spontaneous emergence of phonon angular momentum through hybridization with magnons

    arxiv:2410.10693, 2025

    A. Rubio

  3. Polaritonic quantum matter

    arxiv:, 2025

    A. Asenjo-Garcia and A. Rubio

  4. Floquet optical selection rules in black phosphorus

    arxiv:2501.15703, 2025

    A. Rubio

  5. Assessing generative modeling approaches for free energy estimates in condensed matter

    arxiv:2512.23930, 2025

    J. Rogal

  6. Scalable Boltzmann Generators for equilibrium sampling of large-scale materials

    arxiv:2509.25486, 2025

    J. Rogal

  7. Dynamic control of electron correlations in photodoped charge-transfer insulators

    arxiv:, 2025

    A. Rubio

  8. Extending Orbital-Optimized Density Functional Theory to L-Edge XPS and Beyond: Spin–Orbit Coupling via Nonorthogonal Quasi-Degenerate Perturbation Theory

    arxiv:, 2025

    D. Hait

  9. Exact mid-IR quantum vibrational spectra of neutral water clusters

    arxiv:2509.13517, 2025

  10. Nonperturbative mass renormalization effects in nonrelativistic quantum electrodynamics

    arxiv:, January 1, 2025

    A. Rubio

  11. Visible Imaging of Incoherent 1200-nm Light via Triplet--Triplet Annihilation Upconversion

    arxiv:2510.15184, 2025

    D. Hait

  12. Correlation-driven attosecond photoemission delay in the plasmonic excitation of C60 fullerene

    arxiv:https://www.science.org/doi/pdf/10.1126/sciadv.ads0494, 2025

    A. Rubio

  13. MXtalTools: A Toolkit for Machine Learning on Molecular Crystals

    arxiv:2511.20327, 2025

    J. Rogal

  14. Reaction dynamics of lithium-mediated electrolyte decomposition using machine learning potentials

    arxiv:2509.14067, 2025

    Sohang Kundu, Diana Chamaki, Hong-Zhou Ye, Garvit Agarwal, and T. Berkelbach

  15. Improved energies and wave function accuracy with Weighted Variational Monte Carlo

    arxiv:2507.01905, 2025

    Huan Zhang, Robert J. Webber, Michael Lindsey, T. Berkelbach, and Jonathan Weare

  16. Local-Density Correlation Functional from the Force-Balance Equation

    arxiv:, 2025

    A. Rubio

  17. The Good, the Bad, and the Ugly of Atomistic Learning for "Clusters-to-Bulk" Generalization

    arxiv:2509.16601, 2025

    Mikołaj J. Gawkowski, Mingjia Li, B. Shi, and Venkat Kapil

  18. Cavity-mediated electron-electron interactions: Renormalizing Dirac states in graphene

    Science Advances, arxiv:, 2025

    A. Rubio

  19. An Accurate and Efficient Scheme for Function Extension on Smooth Domains

    SIAM Journal on Numerical Analysis, 2025

    F. Fryklund and S. Jiang

  20. Phaseless auxiliary-field quantum Monte Carlo method for cavity-QED matter systems

    arxiv:2410.18838, 2025

    L. Weber, A. Rubio, and S. Zhang

  21. Enhanced Strange Metallicity due to Hubbard-U Coulomb Repulsion

    arxiv:2407.21102, January 1, 2025

    O. Parcollet and A. Georges

  22. Superconductivity in twisted bilayer WSe

    arxiv:2406.03418v1, 2025

  23. Two-dimensional homogeneous electron gas with symmetric dual-gate screening: Exchange-correlation functional and other ground-state properties

    arxiv:2410.07445, January 1, 2025

    K. Chen and S. Zhang

  24. Two-dimensional homogeneous electron gas with symmetric dual-gate screening: Exchange-correlation functional and other ground-state properties

    arxiv:2410.07445, January 1, 2025

    K. Chen and S. Zhang

  25. Classical variational phase-field models cannot predict fracture nucleation

    Computer Methods in Applied Mechanics and Engineering, January 1, 2025

    Oscar Lopez-Pamies, John E. Dolbow, G. Francfort, and Christopher J. Larsen

  26. CryoLike: A python package for cryo-electron microscopy image-to-structure likelihood calculations

    Acta Crystallographica Section D, Structural Biology, bioRxiv, 2025

    W. Wai Shing, J. Soules, A. Rangan, and P. Cossio

  27. Classical variational phase-field models cannot predict fracture nucleation

    Computer Methods in Applied Mechanics and Engineering, arxiv:2409.00242, 2025

    Oscar Lopez-Pamies, John E. Dolbow, G. Francfort, and Christopher J. Larsen

  28. The 2024 New York City Integrative Structural Biology Symposium

    Trends in Pharmacological Sciences, January 1, 2025

    P. Cossio and Edward T. Eng

  29. Equispaced Fourier representations for efficient Gaussian process regression from a billion data points

    SIAM/ASA Journal on Uncertainty Quantification, arxiv:2210.10210, 2025

    Philip Greengard, M. Rachh, and A. Barnett

  30. The Well: a Large-Scale Collection of Diverse Physics Simulations for Machine Learning

    arxiv:2412.00568, December 30, 2024

    R. Ohana, M. McCabe, Lucas Meyer, Rudy Morel, et al.

  31. How to optimize neuroscience data utilization and experiment design for advancing brain models of visual and linguistic cognition?

    arXiv:2401.03376v2, 2024

    Greta Tuckute, Dawn Finzi, Eshed Margalit, Joel Zylberberg, S. Chung, Alona Fyshe, et al.

  32. Noncoding variants and sulcal patterns in congenital heart disease: Machine learning to predict functional impact.

    iScience, December 28, 2024

    Mondragon-Estrada E., Newburger J.W., DePalma S.R., Brueckner M., Cleveland J., Chung W.K., Gelb B.D., Goldmuntz E., Hagler D.J. Jr, Huang H., McQuillen P., Miller T.A., Panigrahy A., Porter G.A. Jr, Roberts A.E., Rollins C.K., Russell M.W., Tristani-Firouzi M., E. Grant, and Im K., Morton S.U.

  33. Approximate Contraction of Arbitrary Tensor Networks with a Flexible and Efficient Density Matrix Algorithm

    Quantum, arxiv:2406.09769, December 27, 2024

    Linjian Ma, M. Fishman, M. Stoudenmire, and Edgar Solomonik

  34. Comparative profiling of white matter development in the human and mouse brain reveals volumetric deficits and delayed myelination in Angelman syndrome.

    Mol. Autism, December 26, 2024

    Ozarkar S.S., Ridthi K.-R.P., Vulli T., Smith A.L., Styner M.A., Hsu L.-M., et al.

  35. Uniqueness, regularity and characteristic flow for a non strictly convex singular variational problem

    arxiv:2312.01849, 2024

    Jean-Francois Babadjian and G. Francfort

  36. A mixing time bound for Gibbs sampling from log-smooth log-concave distributions

    arxiv:2412.17899, 2024

    N. Wadia

  37. Neural network learns low-dimensional polynomials with SGD near the information-theoretic limit

    arxiv:2406.01581, 2024

    Jason D. Lee, Kazusato Oko, Taiji Suzuki, and D. Wu

  38. Liquid Filled Elastomers: From Linearization to Elastic Enhancement

    Archive for Rational Mechanics and Analysis, arXiv:2309.03630, 2024

    Juan Casado Dìaz and G. Francfort

  39. Learning locally dominant force balances in active particle systems

    Proceedings of the Royal Society A, December 18, 2024

    Dominik Sturm, S. Maddu, and Ivo F. Sbalzarini

  40. ChronoFlow: A Data-Driven Model for Gyrochronology

    arxiv:2412.12244, December 16, 2024

    Phil R. Van-Lane, Joshua S. Speagle, Gwendolyn M. Eadie, Stephanie T. Douglas, et al.

  41. A two-step dance commits collagen to folding

    Proceedings of the National Academy of Science of the USA, December 16, 2024

    Barbara Brodsky and . Persikov

  42. A minimal dynamical system and analog circuit for non-associative learning

    Proc. 63rd IEEE Conference on Decision and Control, December 16, 2024

    M. Smart, S. Shvartsman, and Martin Mönnigmann

  43. Planet formation theory: an overview

    arxiv:2412.11064, December 15, 2024

    Philip J. Armitage

  44. Soft Matching Distance: A metric on neural representations that captures single-neuron tuning

    Proceedings of UniReps: the First Workshop on Unifying Representations in Neural Models, arXiv:2311.09466, 2024

    A. Williams and Meenakshi Khosla

  45. xVal: A Continuous Numerical Tokenization for Scientific Language Models

    arxiv:2310.02989, 2024

    Siavash Golkar, Ph.D., et al.

  46. Trapped acoustic waves and raindrops: high-order accurate integral equation method for localized excitation of a periodic staircase

    Journal of Computational Physics, arXiv:2310.12486, 2024

    F. Agocs and A. Barnett

  47. A normative model representing autistic individuals amidst autism spectrum phenotypic heterogeneity.

    Brain Sci., December 14, 2024

    Portolese J., Gomes C.S., Daguano Gastaldi V., Paula C.S., Caetano S.C., Bordini D., et al.

  48. A tug-of-war between germ cell motility and intercellular bridges controls germline cyst formation in mice

    Current Biology, December 14, 2024

    Ezra W. Levy, et al.

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