Publications
1 minute read
2022
[7] nested tensor tutorial. PyTorch tutorial
2021
[6] Y. Shen, D. R. Yarkony. Unified Description of the Jahn-Teller Effect in Molecules with Only Cs Symmetry: Cyclohexoxy in Its Full 48-Dimensional Internal Coordinates. Journal of Physical Chemistry A
2020
[5] Y. Shen, D. R. Yarkony. Compact Bases for Vibronic Coupling in Spectral Simulations: The Photoelectron Spectrum of Cyclopentoxide in the Full 39 Internal Modes. Journal of Physical Chemistry Letters
[4] K. Shi, Y. Shen, E. E. Santiso, K. E. Gubbins. Microscopic Pressure Tensor in Cylindrical Geometry: Pressure of Water in a Carbon Nanotube. Journal of Chemical Theory and Computation
[3] Y. Shen, D. R. Yarkony. Construction of Quasi-diabatic Hamiltonians That Accurately Represent ab Initio Determined Adiabatic Electronic States Coupled by Conical Intersections for Systems on the Order of 15 Atoms. Application to Cyclopentoxide Photoelectron Detachment in the Full 39 Degrees of Freedom. Journal of Physical Chemistry A
2018
[2] Y. Shen, L. Wang. Semiclassical Moyal dynamics, Journal of Chemical Physics
[1] K. Shi, K. Gu, Y. Shen, D. Srivastava, E. E. Santiso, K. E. Gubbins. High-density equation of state for a two-dimensional Lennard-Jones solid, Journal of Chemical Physics
