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cond-mat.mtrl-sci2019★ 52 cited
mDCThermalC: A program for calculating thermal conductivity quickly and accurately
Tao Fan, Artem R. Oganov
mDCThermalC is a program written in Python for computing lattice thermal conductivity of crystalline bulk materials using the modified Debye-Callaway model. Building upon the tradi…
cond-mat.mtrl-sci2016
Efficient technique for computational design of thermoelectric materials
Maribel Núñez-Valdez, Zahed Allahyari, Tao Fan +1
Efficient thermoelectric materials are highly desirable, and the quest for finding them has intensified as they could be promising alternatives to fossil energy sources. Here we pr…