Cas van der Oord | DeepAI

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research

∙ 10/09/2022

Hyperactive Learning (HAL) for Data-Driven Interatomic Potentials

Data-driven interatomic potentials have emerged as a powerful class of s...

0 Cas van der Oord, et al. ∙

research

∙ 11/08/2019

Approximation of Potential Energy Surfaces with Spherical Harmonics

In this note we detail a framework to systematically derive polynomial b...

0 Markus Bachmayr, et al. ∙