E-LIB Suche - Ergebnisse für: Ge, Fuchun

1

MLatom 3: A Platform for Machine Learning-Enhanced Computat..:

Dral, Pavlo O. ; Ge, Fuchun ; Hou, Yi-Fan...
Journal of Chemical Theory and Computation. 20 (2024) 3 - p. 1193-1213 , 2024

Link: https://doi.org/10.1021/..

2

MLatom Software Ecosystem for Surface Hopping Dynamics in P..:

Zhang, Lina ; Pios, Sebastian V. ; Martyka, Mikołaj...
Journal of Chemical Theory and Computation. 20 (2024) 12 - p. 5043-5057 , 2024

Link: https://doi.org/10.1021/..

3

Tell Machine Learning Potentials What They Are Needed For: ..:

Ge, Fuchun ; Wang, Ran ; Qu, Chen...
The Journal of Physical Chemistry Letters. 15 (2024) 16 - p. 4451-4460 , 2024

Link: https://doi.org/10.1021/..

4

Explicit Learning of Derivatives with the KREG and pKREG Mo..:

Hou, Yi-Fan ; Ge, Fuchun ; Dral, Pavlo O.
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

5

Energy-conserving molecular dynamics is not energy conservi..:

Zhang, Lina ; Hou, Yi-Fan ; Ge, Fuchun.
Physical Chemistry Chemical Physics. 25 (2023) 35 - p. 23467-23476 , 2023

Link: https://doi.org/10.1039/..

6

Interpretable Machine Learning of Two‐Photon Absorption:

Su, Yuming ; Dai, Yiheng ; Zeng, Yifan...
Advanced Science. 10 (2023) 8 - p. , 2023

Link: https://doi.org/10.1002/..

7

Neural networks:

, In: Quantum Chemistry in the Age of Machine Learning,

Dral, Pavlo O. ; Kananenka, Alexei A. ; Ge, Fuchun. - p. 183-204 , 2023

Link: https://doi.org/10.1016/..

8

Four-Dimensional-Spacetime Atomistic Artificial Intelligenc..:

Ge, Fuchun ; Zhang, Lina ; Hou, Yi-Fan...
The Journal of Physical Chemistry Letters. 14 (2023) 34 - p. 7732-7743 , 2023

Link: https://doi.org/10.1021/..

9

Contributors:

, In: Quantum Chemistry in the Age of Machine Learning,

Afzal, Mohammad Atif Faiz ; Barbatti, Mario ; Battaglia, Stefano... - p. xi-xiv , 2023

Link: https://doi.org/10.1016/..

10

Benchmark of general-purpose machine learning-based quantum..:

Chen, Yuxinxin ; Ou, Yanchi ; Zheng, Peikun...
The Journal of Chemical Physics. 158 (2023) 7 - p. , 2023

Link: https://doi.org/10.1063/..

11

MLatom 2: An Integrative Platform for Atomistic Machine Lea..:

, In: Topics in Current Chemistry Collections; New Horizons in Computational Chemistry Software,

Dral, Pavlo O ; Ge, Fuchun ; Xue, Bao Xin... - p. 13-53 , 2022

Link: https://doi.org/10.1007/..

12

Single-cell fucosylation breakdown: Switching fucose to eur..:

Liu, Zhen ; Liang, Yong ; Zhou, Yang...
iScience. 24 (2021) 5 - p. 102397 , 2021

Link: https://doi.org/10.1016/..

13

Identification and antioxidant activity of bovine bone coll..:

Song, Yihang ; Fu, Yousi ; Huang, Shiyang...
Food Chemistry. 349 (2021) - p. 129143 , 2021

Link: https://doi.org/10.1016/..

14

MLatom 2: An Integrative Platform for Atomistic Machine Lea..:

Dral, Pavlo O. ; Ge, Fuchun ; Xue, Bao-Xin...
Topics in Current Chemistry. 379 (2021) 4 - p. , 2021

Link: https://doi.org/10.1007/..

15

Choosing the right molecular machine learning potential:

Pinheiro, Max ; Ge, Fuchun ; Ferré, Nicolas..
Chemical Science. 12 (2021) 43 - p. 14396-14413 , 2021

Link: https://doi.org/10.1039/..