Kehang Han

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

Colin A. Grambow, W. Green, Yi‐Pei Li, 2019, The journal of physical chemistry. A.

Plex: Towards Reliability using Pretrained Large Model Extensions

Michael W. Dusenberry, Joost R. van Amersfoort, E. Kelly Buchanan, 2022, ArXiv.

Comparison of catalytic combustion of carbon monoxide and formaldehyde over Au/ZrO2 catalysts

Bo-Qing Xu, Kehang Han, Keqiang Sun, 2010 .

Reversible encapsulation of lysozyme within mPEG-b-PMAA: experimental observation and molecular dynamics simulation

Diannan Lu, Yifei Zhang, Zheng Liu, 2013 .

Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation

Colin A. Grambow, Emily J. Mazeau, W. Green, 2020, J. Chem. Inf. Model..

Systematic optimization model and algorithm for binding sequence selection in computational enzyme design

Kehang Han, Yushan Zhu, Yushan Zhu, 2013, Protein science : a publication of the Protein Society.

Reliable Graph Neural Networks for Drug Discovery Under Distributional Shift pdf

Kehang Han, Jeremiah Liu, Balaji Lakshminarayanan, 2021, ArXiv.

An Extended Group Additivity Method for Polycyclic Thermochemistry Estimation: AN EXTENDED GROUP ADDITIVITY METHOD FOR POLYCYCLIC THERMOCHEMISTRY ESTIMATION

William H. Green, Colin A. Grambow, Kehang Han, 2018 .