5 papers
Omics-scale polymer computational database transferable to real-world artificial intelligence applications
Ryo Yoshida, Yoshihiro Hayashi, Hidemine Furuya +103
Developing large-scale foundational datasets is a critical milestone in advancing artificial intelligence (AI)-driven scientific innovation. However, unlike AI-mature fields such a…
Suppression of Thin-Film Thermal Conductivity due to Surface Roughness
Michimasa Morita, Junichiro Shiomi
Understanding thermal transport in silicon nanostructures is crucial for effective thermal management in semiconductor devices. In such nanostructures, boundary scattering can sign…
Revisiting the Mechanisms of Thermal Transport in Vacancy-Defective Silicon
Xueyan Zhu, Jin Yang, J. Shiomi +1
Understanding heat conduction in defective silicon is crucial for electronics and thermoelectrics. Conventional understanding relies on phonon gas picture, treating defects as scat…
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
Masato Ohnishi, Tianqi Deng, Pol Torres +16
Understanding the anharmonic phonon properties of crystal compounds -- such as phonon lifetimes and thermal conductivities -- is essential for investigating and optimizing their th…
High thermoelectric power factor in Ni-Fe alloy for active cooling applications
Shuai Li, Sree Sourav Das, Haobo Wang +5
Metallic thermoelectric materials are promising candidates for active cooling applications, where high thermal conductivity and a high thermoelectric power factor are essential to…