Atsuto Seko

Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization

Atsuto Seko, Atsushi Togo, Hiroyuki Hayashi et al. · Physical Review Letters · 2015 · 462 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Prediction model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniques

Joohwi Lee, Atsuto Seko, Kazuki Shitara et al. · Physical review. B./Physical review. B · 2016 · 338 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Representation of compounds for machine-learning prediction of physical properties

Atsuto Seko, Hiroyuki Hayashi, Keita Nakayama et al. · Physical review. B./Physical review. B · 2017 · 316 citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +16

Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solids

Atsuto Seko, Tomoya Maekawa, Koji Tsuda et al. · Physical Review B · 2014 · 309 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Accelerated Materials Design of Lithium Superionic Conductors Based on First‐Principles Calculations and Machine Learning Algorithms

Koji Fujimura, Atsuto Seko, Yukinori Koyama et al. · Advanced Energy Materials · 2013 · 243 citations

Natural Sciences, Materials Engineering, Materials Science +17