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MyTm: An Automated Melting Temperature Calculation Toolkit

Huang, Y. S. et al.
arXiv (All) · Papers
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applied-physicschemical-physicscomputational-physicsmaterials-sciencestatistical-mechanics
Melting temperature calculation is one of the important topics in computational materials science. In high-throughput in silico screening and artificial intelligence assisted design of materials, it usually requires a rapid and autonomous assessment of the melting temperature of the target. Unfortun
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