Below is a listing of Presenters during the Poster Session to be held on Monday, Jun 12, at the Simons Center International Workshop of Nuclear Quantum Effects in Chemistry.
Name | Institution | Poster Title |
Pinchen Xie | Princeton University | First-principles path-integral molecular dynamics study of ferroelectricity and isotope effects in KDP crystals with deep neural networks |
Davide Moscato | Università degli Studi di Milano | From anharmonicity to Nuclear Quantum Effects in medium and large sized molecular systems |
Mathew Chow, Tao E. Li, and Sharon Hammes-Schiffer | Yale University | Building a Condensed Phase Description within Nuclear-Electronic Orbital Dynamics |
Zhou Lin | University of Massachusetts Amherst | Quantum Mechanical and Machine Learning Modeling of Spectroscopy, Materials, and Catalysis |
Shreyas Malpathak | Cornell University | Mixed Semiclassical Dynamics: Application to zero-point energy leakage |
Joseph Dickinson | Yale University | Describing Proton Transfer and Hydrogen Tunneling Dynamics with Nuclear-Electronic Orbital Multistate Density Functional Theory |
Lauren Cook | University College London | Which Algorithm Best Simulates Nonadiabatic Dynamics Using the Meyer-Miller-Stock-Thoss Hamiltonian? |
Petra Shih | Columbia University | Anharmonic lattice dynamics from vibrational dynamical mean field theory |
Henry K. Tran | Columbia University | Anharmonic Vibrational Spectral Functions using Vibrational Heat-Bath Configuration Interaction |
Dipti Jasrasaria | Columbia University | Low thermal conductivities of clathrates explained by vibrational dynamical mean-field theory |
George Trenins and Joseph E. Lawrence | ETH Zurich | New Path-Integral Methods for Accurate Tunneling Splittings |
Xuezhi Bian | University of Pennsylvania | Modeling spin-dependent chemical dynamics: The role of Berry curvature |