Learning Quantum Mechanics Using Embedding, Symmetric Polynomials and Composition | Gábor Csányi
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This is a recording from the 2023 Molecular Machine Learning conference hosted at Mila.
Speaker:
Gábor Csányi - http://www.eng.cam.ac.uk/profiles/gc121
Timestamps
00:00 - Intro
04:31 - First-Principles Molecular Dynamics
09:16 - Atomic Cluster Expansion (ACE)
17:32 - ML: Revolution in Force Field Fidelity
19:50 - Catalysis
28:25 - OVITO Basic Demonstration
32:05 - Q+A