Atomic short-range order in SiGeSn alloys
Automated Generation of Structure Datasets for Machine Learning Potentials and Alloys
Bridgmanite megacrysts drive segregation of the terrestrial magma ocean
A new method for identifying elastic parameters of isotropic materials based on square specimens
Online Test-time Adaptation for Interatomic Potentials
Platinum-based Catalysts for Oxygen Reduction Reaction simulated with aQuantum Computer
Synergistic Optimization of Lattice and Spin in Atomic Scale Simulation of Magnetic Materials
Entropic stabilization of a structurally tolerant phase: The ionic phase of lithium alanate
Knowledge-driven design of fluorinated ether electrolytes via a multi-model approach
Non-Local Interactions Determine Accurate Local Structure and Lithium Diffusion in Solid Electrolytes