DOI: 10.1039/d4sc08677e ISSN: 2041-6520
Chatbot-assisted quantum chemistry for explicitly solvated molecules
Rohit S. K. Gadde, Sreelaya Devaguptam, Fangning Ren, Rajat Mittal, Lechen Dong, Yao Wang, Fang LiuVirtual agents and cloud computing have enabled chemists to easily access automated simulations of explicitly solvated molecules.