2 papers
cond-mat.mtrl-sci2024
Environment-adaptive machine learning potentials
Ngoc Cuong Nguyen, Dionysios Sema
The development of interatomic potentials that can accurately capture a wide range of physical phenomena and diverse environments is of significant interest, but it presents a form…
cond-mat.mtrl-sci2023
Exploring Model Complexity in Machine Learned Potentials for Simulated Properties
Andrew Rohskopf, James Goff, Dionysios Sema +5
Machine learning (ML) enables the development of interatomic potentials that promise the accuracy of first principles methods while retaining the low cost and parallel efficiency o…