639 citations · 2.3k across the 35 of their papers we have counts for
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First-principles study of phonon anharmonicity and negative thermal expansion in ScF3
Yusuke Oba, Terumasa Tadano, Ryosuke Akashi +1
The microscopic origin of the large negative thermal expansion of cubic scandium trifluorides (ScF3) is investigated by performing a set of anharmonic free-energy calculations base…
Search for Common Minima in Joint Optimization of Multiple Cost Functions
Daiki Adachi, Naoto Tsujimoto, Ryosuke Akashi +2
We present a novel optimization method, named the Combined Optimization Method (COM), for the joint optimization of two or more cost functions. Unlike the conventional joint optimi…
Ferromagnetism above 1000 K in highly cation-ordered double-perovskite insulator Sr3OsO6
Yuki K. Wakabayashi, Yoshiharu Krockenberger, Naoto Tsujimoto +4
Magnetic insulators have been intensively studied for over 100 years, and they, in particular ferrites, are considered to be the cradle of magnetic exchange interactions in solids.…
Neural-network Kohn-Sham exchange-correlation potential and its out-of-training transferability
Ryo Nagai, Ryosuke Akashi, Shu Sasaki +1
We incorporate in the Kohn-Sham self consistent equation a trained neural-network projection from the charge density distribution to the Hartree-exchange-correlation potential $n \…