Thomas F. Hughes

机构：Schrodinger (United States)

发表论文 52 篇 · 总被引 3014 次 · h-index 17

代表论文

Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences (2013 · International Journal of Quantum Chemistry · 被引 1803)
Automated Transition State Search and Its Application to Diverse Types of Organic Reactions (2017 · Journal of Chemical Theory and Computation · 被引 177)
High-Throughput Molecular Dynamics Simulations and Validation of Thermophysical Properties of Polymers for Various Applications (2020 · ACS Applied Polymer Materials · 被引 123)
Quantum chemical package Jaguar: A survey of recent developments and unique features (2024 · The Journal of Chemical Physics · 被引 55)
Highly efficient implementation of pseudospectral time‐dependent density‐functional theory for the calculation of excitation energies of large molecules (2016 · Journal of Computational Chemistry · 被引 41)
Design of Organic Electronic Materials With a Goal-Directed Generative Model Powered by Deep Neural Networks and High-Throughput Molecular Simulations (2022 · Frontiers in Chemistry · 被引 39)