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 · 9 across the 2 of their papers we have counts for

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cond-mat.mtrl-sci2024★ 1 cited

First-principles study of the energetics and the local chemical ordering of tungsten-based alloys

Yichen Qian, Mark R. Gilbert, Lucile Dezerald +2

Tungsten (W) is considered a leading candidate for structural and functional materials in future fusion energy devices. The most attractive properties of tungsten for magnetic and…

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…