Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian OptimizationAtsuto Seko, Isao Tanaka, Hiroyuki Hayashi et al.|Physical Review Letters|2015Cited by 462
Prediction model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniquesJoohwi Lee, Isao Tanaka, Kazuki Shitara et al.|Physical review. B./Physical review. B|2016Cited by 337
Representation of compounds for machine-learning prediction of physical propertiesAtsuto Seko, Isao Tanaka, Hiroyuki Hayashi et al.|Physical review. B./Physical review. B|2017Cited by 316
Machine learning with systematic density-functional theory calculations: Application to melting temperatures of single- and binary-component solidsAtsuto Seko, Isao Tanaka, Koji Tsuda et al.|Physical Review B|2014Cited by 309
Accelerated Materials Design of Lithium Superionic Conductors Based on First‐Principles Calculations and Machine Learning AlgorithmsKoji Fujimura, Isao Tanaka, Kazuki Shitara et al.|Advanced Energy Materials|2013Cited by 243