E-LIB Suche - Ergebnisse für: Wen, Mingjian

1

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

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

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..

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

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/..

7

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/..

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

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/..

11

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/..

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/..

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/..