[ACS] Aitomia: An Agentic Framework for AI-Driven Atomistic and Quantum Chemical Simulations

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journalㄩJournal of Chemical Theory and Computation

AuthorsㄩJinming Hu; Hassan Nawaz; Yi-Fan Hou; Lijie Chi; Xin-Yu Tong; Yuting Rui; Yuxinxin Chen; Arif Ullah; Pavlo O. Dral

Published dateㄩ2026-7-14

DOIㄩ10.1021/acs.jctc.6c00591

PDF linkㄩhttps://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6c00591

Article linkㄩhttps://doi.org/10.1021/acs.jctc.6c00591

Article SourceㄩAmerican Chemical Society (ACS)﹝


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