Work

An Active Learning Algorithm for Identifying Transition States on a Potential Energy Surface

Year: 2026

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.5c01811

Authors: Sandra Liz Simon, Nitin Kaistha, Vishal Agarwal

Institution: Indian Institute of Technology Kanpur

Language: English

Topic: Machine Learning in Materials Science

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: closed

Funder: Ministry of Education, India

OpenAlex ID: W7135195753

FWCI: 1.385

Cites: 60

Cited by: 1

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