Work

Fine-Tuned Global Neural Network Potentials for Global Potential Energy Surface Exploration at High Accuracy

Year: 2025

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.5c00051

Authors: Xin-Tian Xie, Tong Guan, Zheng-Xin Yang, Cheng Shang, Zhi-Pan Liu

Institutions: Fudan University, Collaborative Innovation Center of Chemistry for Energy Materials, Chinese Academy of Sciences, Shanghai Institute of Organic Chemistry

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, National Key Research and Development Program of China

Awards: G1070363150, G4530162617, G5931832658, G8116547808, G8316482807, G8425566183

OpenAlex ID: W4408631968

FWCI: 1.861

Cites: 46

Cited by: 9

Related to: 10