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Poster Session Presenters

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

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Kathleen Conlon Hinge
Program Administrator
Simons Center for Computational Physical Chemistry

SimonsCenter@nyu.edu

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We gratefully acknowledge generous funding from the Simons Foundation.