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The Journal of Chemical Physics|June 4, 2024
On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivityAtsushi Togo, Atsuto SekoPhysical Review Letters|March 21, 2008
Structure and stability of a homologous series of tin oxidesAtsuto Seko, Atsushi Togo, Fumiyasu Oba, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 10, 2011
Phase relationships and structures of inorganic crystals by a combination of the cluster expansion method and first principles calculationsIsao Tanaka, Atsuto Seko, Atsushi Togo, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 10, 2011
Native defects in oxide semiconductors: a density functional approachFumiyasu Oba, Minseok Choi, Atsushi Togo, et al.Physical Review Letters|November 28, 2015
Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian OptimizationAtsuto Seko, Atsushi Togo, Hiroyuki Hayashi, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|March 5, 2014
Cluster expansion of multicomponent ionic systems with controlled accuracy: importance of long-range interactions in heterovalent ionic systemsAtsuto Seko, Isao TanakaThe Journal of Chemical Physics|July 2, 2018
Compositional descriptor-based recommender system for the materials discoveryAtsuto Seko, Hiroyuki Hayashi, Isao TanakaPhysical Review. E|October 18, 2023
Structure search method for atomic clusters based on the dividing rectangles algorithmKansei Kanayama, Atsuto Seko, Kazuaki ToyouraThe Journal of Chemical Physics|June 25, 2018
Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive powerAkira Takahashi, Atsuto Seko, Isao TanakaJournal of Physics. Condensed Matter : an Institute of Physics Journal|October 24, 2012
First-principles molecular dynamics study for average structure and oxygen diffusivity at high temperature in cubic Bi2O3Atsuto Seko, Yukinori Koyama, Akifumi Matsumoto, et al.Pageof 3