Work

Automatic Feature Selection for Atom-Centered Neural Network Potentials Using a Gradient Boosting Decision Algorithm

Year: 2024

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.4c01176

Authors: Renzhe Li, Jiaqi Wang, Akksay Singh, Bai Li, Zichen Song, Chuan Zhou, Lei Li

Institutions: Southern University of Science and Technology, The University of Texas at Austin, City University of Hong Kong

Language: English

Topic: Machine Learning in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: closed

Funders: National Natural Science Foundation of China, Department of Education of Guangdong Province, Shenzhen Fundamental Research Program, National Key Research and Development Program of China

Awards: G1130343249, G3594339498, G7172476496, G7358257455

OpenAlex ID: W4404505817

FWCI: 0.189

Cites: 53

Cited by: 2

Related to: 10