271 citations · 337 across the 4 of their papers we have counts for
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cond-mat.mtrl-sci2016★ 2 cited
An efficient method for calculating spatially extended electronic states of large systems with a divide-and-conquer approach
Shunsuke Yamada, Fuyuki Shimojo, Ryosuke Akashi +1
We present an efficient post-processing method for calculating the electronic structure of nanosystems based on the divide-and-conquer approach to density functional theory (DC-DFT…
cond-mat.mtrl-sci2015★ 271 cited
Impact of Rattlers on Thermal Conductivity of a Thermoelectric Clathrate: A First-Principles Study
Terumasa Tadano, Yoshihiro Gohda, Shinji Tsuneyuki
We investigate the role of rattling guest atoms on the lattice thermal-conductivity of a type-I clathrate BaGaGe by first-principles lattice dynamics. Comparing…