Work

Multi-Objective Optimization of Conceptual DFT Reactivity Descriptors in Open-Shell Radicals by Reinforcement Learning

Year: 2026

Type: article

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.6c00105

Authors: Debojyoti Das, Preeti Christina Beck, Debdutta Chakraborty

Institutions: Louisiana State University, Birla Institute of Technology, Mesra

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

Funder: Science and Engineering Research Board

Award: G6170034950

OpenAlex ID: W7165145666

FWCI:

Cites: 87

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