Daniel G. A. Smith
发表
Multi-task learning for electronic structure to predict and explore molecular potential energy surfaces
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Anima Anandkumar,
Frederick R. Manby,
Thomas F. Miller,
2020,
ArXiv.
David A. Strubbe,
Micael J. T. Oliveira,
Miguel A. L. Marques,
2020,
The Journal of chemical physics.
Alexandre M. J. J. Bonvin,
Helmut Grubmüller,
Erik Lindahl,
2019,
J. Chem. Inf. Model..
T. Daniel Crawford,
Levi N. Naden,
Sam Ellis,
2020
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Alexander D. MacKerell,
Daniel G. A. Smith,
K. Merz,
2017,
The Journal of chemical physics.
Daniel G. A. Smith,
C. Sherrill,
L. Burns,
2016,
The journal of physical chemistry letters.
Daniel G. A. Smith,
2015
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Daniel G. A. Smith,
Caitlin C. Bannan,
D. Mobley,
2020
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Levi N. Naden,
Daniel G. A. Smith,
D. Altarawy,
2020
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Daniel G. A. Smith,
Chaya D. Stern,
D. Mobley,
2020,
bioRxiv.
Zachary L Glick,
Dominic A Sirianni,
Jonathan M Waldrop,
2020,
The Journal of chemical physics.
Levi N. Naden,
Benjamin P. Pritchard,
Daniel G. A. Smith,
2020,
WIREs Computational Molecular Science.
Dominic A Sirianni,
Daniel G. A. Smith,
D. Cheney,
2021,
The Journal of chemical physics.
Dominic A Sirianni,
Jonathan M Waldrop,
Andrew C. Simmonett,
2018,
Journal of chemical theory and computation.
Daniel G. A. Smith,
C. Sherrill,
L. Burns,
2020,
The Journal of chemical physics.
Daniel G. A. Smith,
Chaya D. Stern,
Lee‐Ping Wang,
2020,
The Journal of chemical physics.
Development and Benchmarking of 1 Open Force Field v1.0.0, the Parsley 2 small molecule force field 3
Michael R. Shirts,
Daniel G. A. Smith,
Chaya D. Stern,
2020
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Michael R. Shirts,
Daniel G. A. Smith,
Chaya D. Stern,
2020,
Journal of chemical theory and computation.
Xiao Wang,
Daniel G A Smith,
Lori A Burns,
2017,
Journal of chemical theory and computation.
Daniel G. A. Smith,
K. Patkowski,
2015
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Daniel G. A. Smith,
K. Patkowski,
2013,
Journal of chemical theory and computation.
Daniel G. A. Smith,
Tyler Y Takeshita,
R. Baer,
2019,
The Journal of chemical physics.
Daniel G A Smith,
Henry F Schaefer,
Justin M Turney,
2019,
Journal of chemical theory and computation.
Daniel G. A. Smith,
K. Patkowski,
Sicheng Li,
2015,
Physical chemistry chemical physics : PCCP.
Daniel G A Smith,
Konrad Patkowski,
Daniel G. A. Smith,
2018,
The Journal of chemical physics.
Daniel G. A. Smith,
R. C. Forrey,
P. Stancil,
2014,
The journal of physical chemistry. A.
Thomas F. Miller,
Anders S. Christensen,
Daniel G. A. Smith,
2021,
The Journal of chemical physics.
Zachary L Glick,
Andrew C. Simmonett,
Levi N. Naden,
2021,
The Journal of chemical physics.
Daniel G. A. Smith,
H. Witek,
P. Jankowski,
2014,
Journal of chemical theory and computation.
Daniel G. A. Smith,
Brandon W. Bakr,
K. Patkowski,
2013,
The Journal of chemical physics.
Daniel G. A. Smith,
Chaya D. Stern,
D. Mobley,
2022,
bioRxiv.
John D. McCalpin,
James C. Phillips,
Rommie E. Amaro,
2021,
bioRxiv.
David L. Dotson,
Daniel G. A. Smith,
Chaya D. Stern,
2022,
bioRxiv.
Cecilia Clementi,
Daniel G A Smith,
T Daniel Crawford,
2018,
The Journal of chemical physics.
Daniel G. A. Smith,
K. Patkowski,
2014
.
Johanna K. S. Tiemann,
Daniel G. A. Smith,
J. Chodera,
2019,
J. Chem. Inf. Model..
Andrew C. Simmonett,
Daniel G. A. Smith,
F. Paesani,
2023,
The Journal of chemical physics.
Daniel G. A. Smith,
K. Patkowski,
2013,
Journal of chemical theory and computation.