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When use this method to calculation some material with very low thermal conductivity, maybe one can get some very strange results (the spectral heat flux will turn to negative or positive). I don't ...

CatGo brings the everyday tools of computational materials science into one workspace: an interactive 3D structure editor, CatBot for natural-language operations, a visual DAG workflow engine, ...

Contributed by Andrei Tokmakoff; received November 9, 2022; accepted February 27, 2023; reviewed by Hashim M. Al-Hashimi, Andrew H. Marcus, and Thomas E. Ouldridge This contribution is part of the ...

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