Concept
Énergie potentielle électrostatique
Publications associées (32)
Machine-Learning of Atomic-Scale Properties Based on Physical Principles
Michele Ceriotti, Michael John Willatt
We briefly summarize the kernel regression approach, as used recently in materials modelling, to fitting functions, particularly potential energy surfaces, and highlight how the linear algebra framework can be used to both predict and train from linear fun ...
Springer International Publishing2020