most citedAccelerating the discovery of low-energy structure configurations: a computational approach that integrates first-principles calculations, Monte Carlo sampling, and Machine Learning

8 citations · 8 across the 1 of their papers we have counts for

collaborators

1 paper

cond-mat.mtrl-sci2024★ 8 cited

Accelerating the discovery of low-energy structure configurations: a computational approach that integrates first-principles calculations, Monte Carlo sampling, and Machine Learning

Md Rajib Khan Musa, Yichen Qian, Jie Peng +1

Finding Minimum Energy Configurations (MECs) is essential in fields such as physics, chemistry, and materials science, as they represent the most stable states of the systems. In p…