On-the-Fly Pruning for Rate-Based Reaction Mechanism Generation

by Han, Kehang, Green Jr, William H, West, Richard H
Published 2020

Self-Evolving Machine: A Continuously Improving Model for Molecular Thermochemistry

by Li, Yi-Pei, Han, Kehang, Grambow, Colin A., Green Jr, William H
Published 2020

An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation

by Han, Kehang, Jamal, Adeel, Grambow, Colin A., Buras, Zachary, Green Jr, William H
Published 2018

Scalability strategies for automated reaction mechanism generation

by Jocher, Agnes, Vandewiele, Nick, Han, Kehang, Liu, Mengjie, Gao, Connie Wu, Gillis, Ryan J., Green Jr, William H
Published 2020