2 papers
cond-mat.soft2026
Exploratory digital alchemy for colloidal crystal discovery
Shih-Kuang, Lee, Sun-Ting Tsai +1
Digital Alchemy (DA), introduced by Van Anders et al., is a statistical mechanics-based generalized thermodynamic ensemble method that employs computer simulations to optimize coll…
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…