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研究人员已经开发出一种算法,该算法可以在数月内发现并优化用于能量转换的热电材料,依赖于求解量子力学方程,而无需任何实验输入。
https://www.sciencedaily.com/releases/2018/04/180426125950.htm
Georgy Samsonidze, Boris Kozinsky. Accelerated Screening of Thermoelectric Materials by First-Principles Computations of Electron-Phonon Scattering. Advanced Energy Materials, 2018; 1800246 DOI: 10.1002/aenm.201800246
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