Joseph R. Cendagorta

Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates

Joseph R. Cendagorta, Anna Powers, Timothy J. H. Hele et al. · Physical Chemistry Chemical Physics · 2016 · 71 citations · Full text

The Surface Potential of the Water–Vapor Interface from Classical Simulations

Joseph R. Cendagorta, Toshiko Ichiye · The Journal of Physical Chemistry B · 2015 · 56 citations

Engineering, Fluid Mechanics, Wetting +24

Comparison of the Performance of Machine Learning Models in Representing High-Dimensional Free Energy Surfaces and Generating Observables

Joseph R. Cendagorta, Jocelyn Tolpin, Elia Schneider et al. · The Journal of Physical Chemistry B · 2020 · 55 citations

Geometric Learning, Engineering, Machine Learning +25

Enhanced Sampling Path Integral Methods Using Neural Network Potential Energy Surfaces with Application to Diffusion in Hydrogen Hydrates

Joseph R. Cendagorta, Hengyuan Shen, Zlatko Bačić et al. · Advanced Theory and Simulations · 2020 · 54 citations

Engineering, Computational Chemistry, Chemistry +18

An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions

Joseph R. Cendagorta, Zlatko Bačić, Mark E. Tuckerman · The Journal of Chemical Physics · 2018 · 42 citations

Quantum Dynamic, Engineering, Many-body Quantum Physic +19