Aitomia: Your Intelligent Assistant for AI-Driven Atomistic and Quantum Chemical Simulations

ArXi:2505.08195v4 Announce Type: replace-cross We have developed Aitomia - a platform powered by AI to assist in performing AI-driven atomistic and quantum chemical (QC) simulations. This evolving intelligent assistant platform is equipped with chatbots and AI agents to help experts and guide non-experts in setting up and running atomistic simulations, analyzing simulation results, and summarizing them for the user in both textual and graphical forms.