2 papers
cond-mat.dis-nn2025
Transferable potential for molecular dynamics simulations of borosilicate glasses and structural comparison of machine learning optimized parameters
Kai Yang, Ruoxia Chen, Anders K. R. Christensen +4
The simulation of borosilicate glasses is challenging due to the composition and temperature dependent coordination state of boron atoms. Here, we present a newly developed machine…
cond-mat.dis-nn2025
Optimization of Transferable Interatomic Potentials for Glasses toward Experimental Properties
Ruoxia Chen, Kai Yang, Morten M. Smedskjaer +3
The accuracy of molecular simulations is fundamentally limited by the interatomic potentials that govern atomic interactions. Traditional potential development, which relies heavil…