Kun Yao

Years Active: 2017-2021
Publications (10 Years): 5

Dalian Institute of Chemical Physics (MSC)

This page only lists publications with an associated author ORCID identifier.

Education History

Dalian Institute of Chemical Physics Sep 1o 2010 - Jul 1o 2013

China

MSC

Publications

Ying Yang, Kun Yao, Matthew P Repasky, Karl Leswing, Robert Abel, Brian K Shoichet, Steven V Jerome
Efficient Exploration of Chemical Space with Docking and Deep Learning. Journal of chemical theory and computation 17 (11) (2021)
Hao Wang, Kun Yao, John A Parkhill, Zachary D Schultz
Detection of electron tunneling across plasmonic nanoparticle-film junctions using nitrile vibrations. Physical chemistry chemical physics : PCCP 19 (8) (2018)
Kun Yao, John E Herr, David W Toth, Ryker Mckintyre, John Parkhill
The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics. Chemical science 9 (8) (2018)
John E Herr, Kun Yao, Ryker McIntyre, David W Toth, John Parkhill
Metadynamics for training neural network model chemistries: A competitive assessment. The Journal of chemical physics 148 (24) (2018)
Kun Yao, John E Herr, Seth N Brown, John Parkhill
Intrinsic Bond Energies from a Bonds-in-Molecules Neural Network. The journal of physical chemistry letters 8 (12) (2017)

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