8 citations · 8 across the 1 of their papers we have counts for
2 papers
cs.LG2020★ 8 cited
TorsionNet: A Reinforcement Learning Approach to Sequential Conformer Search
Tarun Gogineni, Ziping Xu, Exequiel Punzalan +4
Molecular geometry prediction of flexible molecules, or conformer search, is a long-standing challenge in computational chemistry. This task is of great importance for predicting s…
physics.chem-ph2018
Excited States of Methylene, Polyenes, and Ozone from Heat-Bath Configuration Interaction
Alan D. Chien, Adam A. Holmes, Matthew Otten +3
The electronically excited states of methylene (CH), ethylene (CH), butadiene (CH), hexatriene (CH), and ozone (O) have long proven challenging due…