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Wen, Mingjian
193
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Online (193)
Mediatypes
Articles (Online) (115)
Bookchapter (Online) (1)
OpenAccess-fulltext (77)
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1
Jobflow: Computational Workflows Made Simple:
Rosen, Andrew S.
;
Gallant, Max
;
George, Janine
...
Journal of Open Source Software. 9 (2024) 93 - p. 5995 , 2024
Link:
https://doi.org/10.21105..
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2
CoeffNet: predicting activation barriers through a chemical..:
Vijay, Sudarshan
;
Venetos, Maxwell C.
;
Spotte-Smith, Evan Walter Clark
...
Chemical Science. 15 (2024) 8 - p. 2923-2936 , 2024
Link:
https://doi.org/10.1039/..
?
3
An equivariant graph neural network for the elasticity tens..:
Wen, Mingjian
;
Horton, Matthew K.
;
Munro, Jason M.
..
Digital Discovery. 3 (2024) 5 - p. 869-882 , 2024
Link:
https://doi.org/10.1039/..
?
4
Chemical reaction networks and opportunities for machine le..:
Wen, Mingjian
;
Spotte-Smith, Evan Walter Clark
;
Blau, Samuel M.
...
Nature Computational Science. 3 (2023) 1 - p. 12-24 , 2023
Link:
https://doi.org/10.1038/..
?
5
Machine Learning Full NMR Chemical Shift Tensors of Silicon..:
Venetos, Maxwell C.
;
Wen, Mingjian
;
Persson, Kristin A.
The Journal of Physical Chemistry A. 127 (2023) 10 - p. 2388-2398 , 2023
Link:
https://doi.org/10.1021/..
?
6
KLIFF: A framework to develop physics-based and machine lea..:
Wen, Mingjian
;
Afshar, Yaser
;
Elliott, Ryan S.
.
Computer Physics Communications. 272 (2022) - p. 108218 , 2022
Link:
https://doi.org/10.1016/..
?
7
Extending OpenKIM with an Uncertainty Quantification Toolki..:
, In:
2022 IEEE 18th International Conference on e-Science (e-Science)
,
Kurniawan, Yonatan
;
Petrie, Cody L.
;
Transtrum, Mark K.
... - p. 367-377 , 2022
Link:
https://doi.org/10.1109/..
?
8
Improving machine learning performance on small chemical re..:
Wen, Mingjian
;
Blau, Samuel M.
;
Xie, Xiaowei
..
Chemical Science. 13 (2022) 5 - p. 1446-1458 , 2022
Link:
https://doi.org/10.1039/..
?
9
Bayesian, frequentist, and information geometric approaches..:
Kurniawan, Yonatan
;
Petrie, Cody L.
;
Williams Jr., Kinamo J.
...
The Journal of Chemical Physics. 156 (2022) 21 - p. , 2022
Link:
https://doi.org/10.1063/..
?
10
BonDNet: a graph neural network for the prediction of bond ..:
Wen, Mingjian
;
Blau, Samuel M.
;
Spotte-Smith, Evan Walter Clark
..
Chemical Science. 12 (2021) 5 - p. 1858-1868 , 2021
Link:
https://doi.org/10.1039/..
?
11
Quantum chemical calculations of lithium-ion battery electr..:
Spotte-Smith, Evan Walter Clark
;
Blau, Samuel M.
;
Xie, Xiaowei
...
Scientific Data. 8 (2021) 1 - p. , 2021
Link:
https://doi.org/10.1038/..
?
12
Data-Driven Prediction of Formation Mechanisms of Lithium E..:
Xie, Xiaowei
;
Clark Spotte-Smith, Evan Walter
;
Wen, Mingjian
...
Journal of the American Chemical Society. 143 (2021) 33 - p. 13245-13258 , 2021
Link:
https://doi.org/10.1021/..
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13
Uncertainty quantification in molecular simulations with dr..:
Wen, Mingjian
;
Tadmor, Ellad B.
npj Computational Materials. 6 (2020) 1 - p. , 2020
Link:
https://doi.org/10.1038/..
?
14
A force-matching Stillinger-Weber potential for MoS2: Param..:
Wen, Mingjian
;
Shirodkar, Sharmila N.
;
Plecháč, Petr
...
Journal of Applied Physics. 122 (2017) 24 - p. , 2017
Link:
https://doi.org/10.1063/..
?
15
A KIM-compliantpotfitfor fitting sloppy interatomic potenti..:
Wen, Mingjian
;
Li, Junhao
;
Brommer, Peter
...
Modelling and Simulation in Materials Science and Engineering. 25 (2016) 1 - p. 014001 , 2016
Link:
https://doi.org/10.1088/..
1-15