Machine-Learned Interatomic Potentials
Neural-network and Gaussian-process potentials trained on ab initio data.
Machine-Learned Interatomic Potentials — Neural-network and Gaussian-process potentials trained on ab initio data. This page is a placeholder while frontier-paper sourcing is deferred to a follow-up OpenAlex wave.
The topic sits in the Charted science tree as a child of chemistry/theoretical-and-computational-chemistry and will be expanded once curated primary sources have been gathered. A foundational reference for this area is Introduction to Computational Chemistry (Jensen, 2017).
Prerequisites
Sources
- textbook · primary · 2017Introduction to Computational Chemistryjensen-2017
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