Work

Monomeric Neural Network Potential for General Covalent Molecules: Linear Alkanes as an Example

Year: 2026

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.6c00290

Authors: Xinze Li, Ruitao Ma, Chen Qu, Dong H. Zhang, Qi Yu

Institutions: Fudan University, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, State Key Laboratory of Molecular Reaction Dynamics

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, Shanghai Municipal Commission of Economy and Informatization

Awards: G2241535341, G5274009676, G6687886372, G8896426441

OpenAlex ID: W7156182945

FWCI:

Cites: 69

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