All papers authored by Yuezhi Mao
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2023
Peter Eastman 
,
Pavan Kumar Behara,
David L. Dotson ,
Raimondas Galvelis ,
John E. Herr,
Josh T. Horton ,
Yuezhi Mao ,
John D. Chodera,
Benjamin P. Pritchard,
Yuanqing Wang,
Gianni De Fabritiis,
Thomas E. Markland
,
Pavan Kumar Behara,
David L. Dotson ,
Raimondas Galvelis ,
John E. Herr,
Josh T. Horton ,
Yuezhi Mao ,
John D. Chodera,
Benjamin P. Pritchard,
Yuanqing Wang,
Gianni De Fabritiis,
Thomas E. Markland
SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials
Download from doi.org
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
2020
Yuezhi Mao ,
Matthias Loipersberger ,
Kareesa J. Kron ,
Jeffrey S. Derrick ,
Shaama Mallikarjun Sharada ,
Chris Chang ,
Shaama Mallikarjun Sharada,
Martin Head-Gordon
Download from doi.org
,
Matthias Loipersberger ,
Kareesa J. Kron ,
Jeffrey S. Derrick ,
Shaama Mallikarjun Sharada ,
Chris Chang ,
Shaama Mallikarjun Sharada,
Martin Head-Gordon
Download from doi.org
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