activity
20232026
most citedMLatom 3: Platform for machine learning-enhanced computational chemistry simulations and workflows

70 citations · 90 across the 7 of their papers we have counts for

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Showing 2025Show all

2 papers · 1 filter

physics.comp-ph2025

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

Jinming Hu, Hassan Nawaz, Yi-Fan Hou +5

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…

physics.chem-ph2025★ 3 cited

Machine learning meets Lie algebra: Enhancing quantum dynamics learning with exact trace conservation

Arif Ullah, Jeremy O. Richardson

Machine learning (ML) has emerged as a promising tool for simulating quantum dissipative dynamics. However, existing methods often struggle to enforce key physical constraints, suc…