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Updated: Feb 22, 2026

Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics
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Demonstrating the Simplicity and In Situ Temperature Monitoring of the Mechanochemical Synthesis of Metal Chalcogenides Suitable for Thermoelectrics

Published on: August 30, 2024

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机器学习加速金属氧化物热化学预测

Nickolas A Joyner1, Sarah Sprouse1, Haizley Herndon1

  • 1Department of Chemistry and Biochemistry, The University of Alabama, Shelby Hall, Tuscaloosa, Alabama 35487-0336, United States.

Journal of chemical theory and computation
|February 20, 2026
PubMed
概括

机器学习模型准确地预测金属氧化物能量,使大量凝聚力的能量能够更快地计算. 该框架使用规范集群能量 (NCE) 以降低计算成本实现DFT级准确性.

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