Jason Kaye
I am an Associate Research Scientist, joint between the
Center for Computational Mathematics
and the
Center for Computational Quantum Physics
at the
Flatiron Institute, Simons Foundation.
My research focuses on the development of robust, high-order,
and scalable numerical algorithms for problems in computational quantum physics. I work
with high-order and adaptive methods, fast
algorithms for the compression of structured operators, and efficient
methods for the numerical solution of integral and differential
equations. These algorithms have been
applied to many-body Green's function methods, quantum
embedding, diagrammatics, electronic structure, and other approaches to the quantum many-body problem.
Nearly all of my projects involve close
collaborations with computational physicists and chemists, and cover
algorithm development, implementation, and software.
Download my CV (Feb '24)
Publications/Preprints
(ordered by first appearance)If no arXiv link is given, journal publication is open access.
- L. Van Muñoz, S. Beck, J. Kaye, "AutoBZ.jl: Automatic, adaptive Brillouin zone integration using Wannier interpolation", J. Open Source Softw., 9 (102), 7080 (2024). journal
- L. Van Muñoz, J. Kaye, A. Barnett, S. Beck, "High-order and adaptive optical conductivity calculations using Wannier interpolation", arXiv:2406.15466 (2024). arXiv
- D. Kiese, H. U. R. Strand, K. Chen, N. Wentzell, O. Parcollet, J. Kaye, "Discrete Lehmann representation of three-point functions", arXiv:2405.06716 (2024). arXiv
- J. Kaye, H. U. R. Strand, N. Wentzell, "cppdlr: Imaginary time calculations using the discrete Lehmann representation", J. Open Source Softw., 9 (100), 6297 (2024). journal
- T. Blommel, J. Kaye, Y. Murakami, E. Gull, D. Golež, "Chirped amplitude mode in photo-excited superconductors", arXiv:2403.01589 (2024). arXiv
- H. LaBollita, J. Kaye, A. Hampel, "Stabilizing the calculation of the self-energy in dynamical mean-field theory using constrained residual minimization", arXiv:2310.01266 (2023). arXiv
- J. Kaye, Z. Huang, H. U. R. Strand, D. Golež, "Decomposing imaginary time Feynman diagrams using separable basis functions: Anderson impurity model strong coupling expansion", Phys. Rev. X, 14, 031034 (2024). journal
- N. Sheng, A. Hampel, S. Beck, O. Parcollet, N. Wentzell, J. Kaye, K. Chen, "Low-rank Green's function representations applied to dynamical mean-field theory", Phys. Rev. B, 107, 245123 (2023). journal arXiv
- J. Kaye, S. Beck, A. Barnett, L. Van Muñoz, O. Parcollet, "Automatic, high-order, and adaptive algorithms for Brillouin zone integration", SciPost Phys., 15 (2), 062 (2023). journal
- J. Kaye, A. Barnett, L. Greengard, U. De Giovannini, A. Rubio, "Eliminating artificial boundary conditions in time-dependent density functional theory using Fourier contour deformation", J. Chem. Theory Comput., 19 (5), 1409-1420 (2023). journal arXiv
- Y. Núñez-Fernández, M. Jeannin, P. T. Dumitrescu, T. Kloss, J. Kaye, O. Parcollet, X. Waintal, "Learning Feynman diagrams with tensor trains", Phys. Rev. X, 12, 041018 (2022). journal
- J. Hoskins, J. Kaye, M. Rachh, J. C. Schotland, "Analysis of single-excitation states in quantum optics", arXiv:2110.07049 (2021). arXiv
- J. Kaye, K. Chen, H. U. R. Strand, "libdlr: Efficient imaginary time calculations using the discrete Lehmann representation", Comput. Phys. Commun., 280, 108458 (2022). journal
- J. Kaye, H. U. R. Strand, "A fast time domain solver for the equilibrium Dyson equation", Adv. Comput. Math., 49, 63 (2023). journal
- J. Hoskins, J. Kaye, M. Rachh, J. C. Schotland, "A fast, high-order numerical method for the simulation of single-excitation states in quantum optics", J. Comput. Phys., 473, 111723 (2023). journal arXiv
- J. Kaye, K. Chen, O. Parcollet, "Discrete Lehmann representation of imaginary time Green's functions", Phys. Rev. B, 105, 235115 (2022). journal arXiv
- J. Kaye, D. Golež, "Low rank compression in the numerical solution of the nonequilibrium Dyson equation", SciPost Phys., 10 (4), 091 (2021). journal
- J. Kaye, A. Barnett, L. Greengard, "A high-order integral equation-based solver for the time-dependent Schrödinger equation", Comm. Pure Appl. Math., 75, 1657-1712 (2022). journal arXiv
- J. Kaye, L. Greengard, "A fast solver for the narrow capture and narrow escape problems in the sphere", J. Comput. Phys. X, 5, 100047 (2020). journal
- J. Kaye, L. Greengard, "Transparent boundary conditions for the time-dependent Schrödinger equation with a vector potential", arXiv:1812.04200 (2018). arXiv
- Y. Bao, J. Kaye, C. S. Peskin, "A Gaussian-like immersed-boundary kernel with three continuous derivatives and improved translational invariance", J. Comput. Phys., 316, 139-144 (2016). journal arXiv
- J. Kaye, L. Lin, C. Yang, "A posteriori error estimator for adaptive local basis functions to solve Kohn-Sham density functional theory", Commun. Math. Sci., 13 (7), 1741-1773 (2015). journal arXiv
- S. E. Field, C. R. Galley, J. S. Hesthaven, J. Kaye, M. Tiglio, "Fast prediction and evaluation of gravitational waveforms using surrogate models", Phys. Rev. X, 4 (3), 031006 (2014). journal
Software
cppdlr | C++ library implementing the discrete Lehmann representation of imaginary time Green's functions (with Nils Wentzell & Hugo U. R. Strand) (paper) |
libdlr | Python & Fortran libraries implementing the discrete Lehmann representation of imaginary time Green's functions (with Hugo U. R. Strand) (paper) |
AutoBZ | Julia package implementing algorithms for automatic, high-order, and adaptive Brillouin zone integration (code written primarily by Lorenzo van Muñoz) (paper) |
adapol | Python package for adaptive pole-fitting of Matsubara functions (code written primarily by Zhen Huang) |