All papers authored by Kun Yao
Refreshing results…
2021
Evgeny Epifanovsky,
Andrew T. B. Gilbert,
Xintian Feng 
,
Joonho Lee,
Yuezhi Mao ,
Narbe Mardirossian,
Pavel Pokhilko,
Alec F. White ,
Marc P. Coons ,
Adrian L. Dempwolff ,
Zhengting Gan,
Diptarka Hait ,
Paul R. Horn,
Leif D. Jacobson,
Ilya Kaliman
and 205 other authors
,
Joonho Lee,
Yuezhi Mao ,
Narbe Mardirossian,
Pavel Pokhilko,
Alec F. White ,
Marc P. Coons ,
Adrian L. Dempwolff ,
Zhengting Gan,
Diptarka Hait ,
Paul R. Horn,
Leif D. Jacobson,
Ilya Kaliman
and 205 other authors
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package
Download from zenodo.org
2018
John E. Herr ,
Kun Yao ,
Ryker McIntyre ,
David W. Toth ,
John Parkhill
,
Kun Yao ,
Ryker McIntyre ,
David W. Toth ,
John Parkhill
Metadynamics for training neural network model chemistries: A competitive assessment
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