Representation of compounds for machine-learning prediction of physical properties A Seko, H Hayashi, K Nakayama, A Takahashi, I Tanaka Physical Review B 95 (14), 144110, 2017 | 290 | 2017 |
Sparse representation for a potential energy surface A Seko, A Takahashi, I Tanaka Physical Review B 90 (2), 024101, 2014 | 110 | 2014 |
First-principles interatomic potentials for ten elemental metals via compressed sensing A Seko, A Takahashi, I Tanaka Physical Review B 92 (5), 054113, 2015 | 90 | 2015 |
Conceptual and practical bases for the high accuracy of machine learning interatomic potentials: Application to elemental titanium A Takahashi, A Seko, I Tanaka Physical Review Materials 1 (6), 063801, 2017 | 66 | 2017 |
Electrically Benign Defect Behavior in Zinc Tin Nitride Revealed from First Principles N Tsunoda, Y Kumagai, A Takahashi, F Oba Physical Review Applied 10 (1), 011001, 2018 | 41 | 2018 |
Machine learning models for predicting the dielectric constants of oxides based on high-throughput first-principles calculations A Takahashi, Y Kumagai, J Miyamoto, Y Mochizuki, F Oba Physical Review Materials 4 (10), 103801, 2020 | 40 | 2020 |
Insights into oxygen vacancies from high-throughput first-principles calculations Y Kumagai, N Tsunoda, A Takahashi, F Oba Physical Review Materials 5 (12), 123803, 2021 | 36 | 2021 |
Theoretical exploration of mixed-anion antiperovskite semiconductors M 3 X N (M= Mg, Ca, Sr, Ba; X= P, As, Sb, Bi) Y Mochizuki, HJ Sung, A Takahashi, Y Kumagai, F Oba Physical Review Materials 4 (4), 044601, 2020 | 30 | 2020 |
Linearized machine-learning interatomic potentials for non-magnetic elemental metals: Limitation of pairwise descriptors and trend of predictive power A Takahashi, A Seko, I Tanaka The Journal of Chemical Physics 148 (23), 234106, 2018 | 23 | 2018 |
Point defects in -type transparent conductive (, Ga, In) from first principles T Gake, Y Kumagai, A Takahashi, F Oba Physical Review Materials 5 (10), 104602, 2021 | 8 | 2021 |
Origin of large magnetostriction in palladium cobalt and palladium nickel alloys: Strong pseudo-dipole interactions between palladium–cobalt and palladium–nickel atomic pairs T Harumoto, J Shi, Y Nakamura, A Takahashi Applied Physics Letters 118 (10), 102401, 2021 | 5 | 2021 |
Adaptive Sampling Methods via Machine Learning for Materials Screening A Takahashi, Y Kumagai, H Aoki, R Tamura, F Oba Science and Technology of Advanced Materials: Methods 2 (1), 55-66, 2022 | 4 | 2022 |
Oxygen vacancies in α-(Al x Ga1-x )2O3 alloys: A first-principles study T Ishii, A Takahashi, T Nagafuji, F Oba Applied Physics Express, 2023 | 2 | 2023 |
Fully autonomous materials screening methodology combining first-principles calculations, machine learning and high-performance computing system A Takahashi, K Terayama, Y Kumagai, R Tamura, F Oba Science and Technology of Advanced Materials: Methods, 2261834, 2023 | | 2023 |
Dielectric ceramic composition and ceramic capacitor T Murata, H AKAMATSU, F Oba, A Takahashi US Patent App. 17/498,430, 2022 | | 2022 |
Defect formation and carrier compensation in the layered oxychalcogenide La 2 CdO 2 Se 2: an insight from first principles T Gake, Y Kumagai, A Takahashi, H Hiramatsu, F Oba Journal of Materials Chemistry C, 2022 | | 2022 |