E-LIB Suche - Ergebnisse für: Lei, Yao-Kun

1

Learning QM/MM potential using equivariant multiscale model:

Lei, Yao-Kun ; Yagi, Kiyoshi ; Sugita, Yuji
The Journal of Chemical Physics. 160 (2024) 21 - p. , 2024

2

Phase Transition between Crystalline Variants of Ordinary I..:

Li, Maodong ; Zhang, Jun ; Niu, Haiyang...
The Journal of Physical Chemistry Letters. 13 (2022) 36 - p. 8601-8606 , 2022

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

3

Locating Transition Zone in Phase Space:

Lei, Yao-Kun ; Zhang, Zhen ; Han, Xu...
Journal of Chemical Theory and Computation. 18 (2022) 10 - p. 6124-6133 , 2022

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

4

Deep reinforcement learning of transition states:

Zhang, Jun ; Lei, Yao-Kun ; Zhang, Zhen...
Physical Chemistry Chemical Physics. 23 (2021) 11 - p. 6888-6895 , 2021

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

5

A Perspective on Deep Learning for Molecular Modeling and S..:

Zhang, Jun ; Lei, Yao-Kun ; Zhang, Zhen...
The Journal of Physical Chemistry B. , 2020

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

6

Deep learning for variational multiscale molecular modeling:

Zhang, Jun ; Lei, Yao-Kun ; Yang, Yi Isaac.
The Journal of Chemical Physics. 153 (2020) 17 - p. 174115 , 2020

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

7

A Perspective on Deep Learning for Molecular Modeling and S..:

Zhang, Jun ; Lei, Yao-Kun ; Zhang, Zhen...
The Journal of Physical Chemistry A. 124 (2020) 34 - p. 6745-6763 , 2020

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

8

Deep Representation Learning for Complex Free-Energy Landsc..:

Zhang, Jun ; Lei, Yao-Kun ; Che, Xing...
The Journal of Physical Chemistry Letters. 10 (2019) 18 - p. 5571-5576 , 2019

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

9

Lanthanide coordination polymers: Synthesis, diverse struct..:

Song, Xue-Qin ; Lei, Yao-Kun ; Wang, Xiao-Run...
Journal of Solid State Chemistry. 218 (2014) - p. 202-212 , 2014

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

10

Lanthanide coordination polymers constructed by a new semir..:

Song, Xue-Qin ; Xing, Ding-Ye ; Lei, Yao-Kun...
Inorganica Chimica Acta. 404 (2013) - p. 113-122 , 2013

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

11

Dynamic Electric Field Complicates Chemical Reactions in So..:

Lei, Yao Kun ; Zhang, Jun ; Zhang, Zhen.
The Journal of Physical Chemistry Letters. 10 (2019) 11 - p. 2991-2997 , 2019

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

12

A Perspective on Deep Learning for Molecular Modeling and S..:

Zhang, Jun ; Lei, Yao-Kun ; Zhang, Zhen...
http://arxiv.org/abs/2004.13011. , 2020

Link: http://arxiv.org/abs/200..

13

Molecular CT: Unifying Geometry and Representation Learning..:

Zhang, Jun ; Lei, Yao-Kun ; Zhou, Yaqiang..
http://arxiv.org/abs/2012.11816. , 2020

Link: http://arxiv.org/abs/201..

14

Deep Reinforcement Learning of Transition States:

Zhang, Jun ; Lei, Yao-Kun ; Zhang, Zhen...
http://arxiv.org/abs/2011.06700. , 2020

Link: http://arxiv.org/abs/201..

15

Learning Clustered Representation for Complex Free Energy L..:

Zhang, Jun ; Lei, Yao-Kun ; Che, Xing...
http://arxiv.org/abs/1906.02852. , 2019

Link: http://arxiv.org/abs/190..