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- The University of TokyoJP15 papers
- The Graduate University for Advanced Studies, SOKENDAIJP5 papers
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- University of VirginiaUS4 papers
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- Ibaraki UniversityJP3 papers
- Institut de Recherche Mathématique AvancéeFR3 papers
- Institute of Rural Management AnandIN3 papers
- Kyushu UniversityJP3 papers
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- National Institutes of Natural SciencesJP3 papers
4 papers · 1 filter
PyAPX: Python toolkit for atomic configuration pattern exploration
Akira Kusaba, Tetsuji Kuboyama, Karol Kawka +2
In materials discovery, the integration of first-principles calculations with machine learning techniques has been actively studied for two key tasks: crystal structure prediction,…
Exploration of stable atomic configurations in graphene-like BCN systems by Bayesian optimization
Taichi Hara, Akira Kusaba, Yoshihiro Kangawa +4
h-BCN is an intriguing material system where the bandgap varies considerably depending on the atomic configuration, even at a fixed composition. Exploring stable atomic configurati…
Phonon hydrodynamic regimes in sapphire
Takuya Kawabata, Kosuke Shimura, Yuto Ishii +7
When an ideal insulator is cooled, four regimes of thermal conductivity are expected to emerge one after another. Two of these, the Ziman and the Poiseuille, are hydrodynamic regim…
Beyond ab initio reaction simulator: an application to GaN metalorganic vapor phase epitaxy
Akira Kusaba, Shugo Nitta, Kenji Shiraishi +2
To develop a quantitative reaction simulator, data assimilation was performed using high-resolution time-of-flight mass spectrometry (TOF-MS) data applied to GaN metalorganic vapor…