Chatbot-assisted quantum chemistry for explicitly solvated molecules

Gadde, Rohit S. K.; Devaguptam, Sreelaya; Ren, Fangning; Mittal, Rajat; Dong, Lechen; Wang, Yao; Liu, Fang

doi:10.1039/D4SC08677E

Title: Chatbot-assisted quantum chemistry for explicitly solvated molecules

Journal Article · 25 February 2025 · Chemical Science

DOI: https://doi.org/10.1039/D4SC08677E · OSTI ID:2507356

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Department of Chemistry, Emory University, Atlanta, GA 30322, USA
Department of Physics and Astronomy, Clemson University, Clemson, SC 29631, USA

Virtual agents and cloud computing have enabled chemists to easily access automated simulations of explicitly solvated molecules.

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Sponsoring Organization:: USDOE

Grant/Contract Number:: SC0024524; SC0025345

OSTI ID:: 2507356

Journal Information:: Chemical Science, Journal Name: Chemical Science Journal Issue: 9 Vol. 16; ISSN 2041-6520; ISSN CSHCBM

Publisher:: Royal Society of Chemistry (RSC)Copyright Statement

Country of Publication:: United Kingdom

Language:: English

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