Conformational Sampling for Transition State Searches on a Computational Budget

Document Details

Document Type: Pub Defense Publication
Publication Date: Apr 11, 2022
Source ID: 10.1021/acs.jctc.2c00081

Entities

People

Brett Savoie
Hsuan-hao Hsu
Qiyuan Zhao

Organizations

Office of Naval Research
Purdue University
The Camille and Henry Dreyfus Foundation