2 papers
cond-mat.mtrl-sci2026
Complex crystal structure prediction using ML-enhanced multi-minima iterative genetic algorithm
Ling Tang, Weiyi Xia, Tyler J. Slade +2
Current machine learning (ML) approaches for materials discovery rely heavily on known structural databases, limiting their ability to identify entirely novel structure types. In t…
cond-mat.mtrl-sci2025
Developing a Neural Network Machine Learning Interatomic Potential for Molecular Dynamics Simulations of La-Si-P Systems
Ling Tang, Weiyi Xia, Gayatri Viswanathan +3
While molecular dynamics (MD) is a very useful computational method for atomistic simulations, modeling the interatomic interactions for reliable MD simulations of real materials h…