Md Emdad Ullah
@emdadsami.bsky.social
Looking for a PhD Position in Computational (Bio)Chemistry, BSc. Biochemistry, M.Sc. Theoretical and Computational Chemistry, University of Dhaka, Ex-Cadet. Interested in AI & ML #CompChem. Bangladeshi 🇧🇩 https://emdadullah.bolt.host
AI agents set to democratise computational chemistry www.chemistryworld.com/news/ai-agen... #compchem #ai
AI agents set to democratise computational chemistry
Large language models are powering a new generation of AI agents that could transform computational chemistry from a specialist discipline into one any researcher can use, reports Julia Robinson
chemistryworld.com
Insane how far computational chemistry has jumped in a year. A year ago, we had Aitomia — standard simulations (geom opt, freq, …). Today: Protomia (aitomistic.com/protomia) does all that and drafts & edits manuscripts, writes code, and everything else you'd expect from a top agentic system.
Protomia 1.0 Catalyst is an AI workbench for computational chemistry: ask questions, run calculations, monitor jobs, inspect results, and turn those results into reports and papers. It is built for scientists who need more than a chatbot.
aitomistic.com
Aitomistic@aitomistic.com · last mo.Our framework, Aitomia, is now published in JCTC! "Aitomia: An Agentic Framework for AI-Driven Atomistic and Quantum Chemical Simulations" doi.org/10.1021/acs.jctc.6c00591 Want the live, ready-to-use system? Try Protomia on the Aitomistic Hub: aitomistic.com/protomia