2 papers
cond-mat.soft2026
Anatomy of a Complex Crystallization Pathway
Charlotte Shiqi Zhao, Domagoj Fijan, Sharon C. Glotzer
Using molecular dynamics simulations, we investigate the crystallization pathways of two exemplary systems that form the same complex crystal structure but differ fundamentally in…
cond-mat.mtrl-sci2025
Hybrid Monte Carlo Metadynamics (hybridMC-MetaD)
Charlotte Shiqi Zhao, Sun-Ting Tsai, Sharon C. Glotzer
We propose the powerful integration of the Hybrid Monte Carlo (hybridMC) algorithm and Well-Tempered Metadynamics. This new algorithm, hybridMC-MetaD, enhances the flexibility and…