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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…
cond-mat.mtrl-sci2025★ 2 cited
Integrated Experiment and Simulation Co-Design: A Key Infrastructure for Predictive Mesoscale Materials Modeling
Shailendra P. Joshi, Ashley Bucsek, Darren C. Pagan +10
The design of structural & functional materials for specialized applications is being fueled by rapid advancements in materials synthesis, characterization, manufacturing, with sop…