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Updated: Jul 16, 2025

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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机器学习加速的第一原则 精确建模在地幔条件下的MGO固体-液体相变的准确建模

Pandu Wisesa1, Christopher M Andolina1, Wissam A Saidi1

  • 1Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, Pennsylvania 15216, United States.

The journal of physical chemistry letters
|September 22, 2023
PubMed
概括

深度神经网络潜力加速了对氧化 (MgO) 的高压化行为研究. 这种方法准确地模拟行星状况,克服了传统计算技术的局限性.

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