Search

Content Types

Working Paper

(5)

Published Date

Over 3 years

(4)

Last 3 years

(1)

Keywords

Authors

Shuhua Li

5 results in Authors: Shuhua Li

Theoretical and Computational Chemistry

An On-the-fly Approach to Construct Generalized Energy-Based Fragmentation Machine Learning Force Fields of Complex Systems

Zheng Cheng, Zhao Dongbo, Jing Ma, Wei Li, Shuhua Li

Version 1 posted 18 May 2020

791

Downloads

Theoretical and Computational Chemistry

Building Machine Learning Force Fields of Proteins with Fragment-Based Approach and Data Transfer

Zheng Cheng, Jiahui Du, Lei Zhang, Jing Ma, Wei Li, Shuhua Li

Version 3 posted 18 June 2021

1,325

Downloads

Physical Chemistry

Fidelity of Robotic Chemical Operations of Homogenous and Heterogeneous Reactions

Guoqiang Wang, Bo Xin, Gaobo Wang, Yong Zhang, Yunwen Lu, Lin Guo, Shuhua Li, Chunlin Chen, Xu Cheng, Jing Ma

Version 1 posted 23 July 2021

390

Downloads

Atmospheric Nitrogen Fixation via a Porous Coordination Polymer Platform with Bridging Dinitrogen Anions

Yan Xiong, Bang Li, Yuming Gu, Tong Yan, Zhigang Ni, Shuhua Li, Jing-Lin Zuo, Jing Ma, Zhong Jin

Version 1 posted 13 July 2021

363

Downloads

Organic Chemistry

Enhancing the nucleophilicity of benzylic boronates enables the divergent formation of C−C and C−X bonds

Liuzhou Gao, Xinyi Liang, Linke He, Guoao Li, Shengda Chen, Jia Cao, Jing Ma, Guoqiang Wang, Shuhua Li

Version 1 posted 13 April 2023

491

Downloads