Search

6 results in Authors: Ke Cheng

Theoretical and Computational Chemistry

Physics-Inspired Machine Learning of Localized Intensive Properties

Ke Chen, Christian Kunkel, Bingqing Cheng, Karsten Reuter, Johannes T. Margraf

Version 1 posted 21 February 2023

443

Downloads

Organometallic Chemistry

Tetraanionic arachno-Carboranyl Ligand Imparts Strong Axiality to Terbium(III) Single-Molecule Magnets

Peng-Bo Jin, Ke-Xin Yu, Qian-Cheng Luo, Ye-Ye Liu, Yuan-Qi Zhai, Yan-Zhen Zheng

Version 1 posted 03 March 2022

228

Downloads

Interpreting Chemisorption Strength with AutoML-based Feature Deletion Experiments

Zhuo Li, Changquan Zhao, Haikun Wang, Yanqing Ding, Yechao Chen, Philippe Schwaller, Ke Yang, Cheng Hua, Yulian He

Version 1 posted 09 November 2023

204

Downloads

Materials Science

Molecular O2 Dimers and Lattice Instability in a Perovskite Electrocatalyst

Jan Bosse, Jian Gu, Jaewon Choi, Vladimir Roddatis, Yong-Bin Zhuang, Nagaarjhuna A. Kani, Anna Hartl, Mirian Garcia-Fernandez, Ke-Jin Zhou, Alessandro Nicolaou, Thomas Lippert, Jun Cheng, Andrew Akbashev

Version 2 posted 17 January 2024

586

Downloads

Materials Chemistry

Automatic Screen-out of Ir(III) Complex Emitters by Combined Machine Learning and Computational Analysis

Zheng Cheng, Jiapeng Liu, Tong Jiang, Mohan Chen, Fuzhi Dai, Zhifeng Gao, Guolin Ke, Zifeng Zhao, Qi Ou

Version 1 posted 16 March 2023

664

Downloads

Theoretical and Computational Chemistry

TransPTM: a Transformer-Based Model for Non-Histone Acetylation Site Prediction

Lingkuan Meng, Xingjian Chen, Ke Cheng, Nanjun Chen, Zetian Zheng, Fuzhou Wang, Hongyan Sun, Ka-Chun Wong

Version 1 posted 04 October 2023

226

Downloads