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Atsushi Togo

national institute for materials science

34H-index
684Paper Count
2.6WCitation Count
Published Papers 36
Publication Date
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Software interoperability in electronic structure methods for atomistic materials simulations
errComputational Materials Science
IF3.3
err2026-07-01
err0
PREAI
errCarrete, Jesus; Garcia-Fernandez, Pablo; Gruning, Myrta; He, Xu; Pionteck, Mike N.; Protik, Nakib H.; Todorovic, Milica; Togo, Atsushi; Wang, Xing; Poloni, Roberta; Pruneda, Miguel; Cammarata, Antonio
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Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages
errJOURNAL OF APPLIED PHYSICS
IF2.5
err2025-10-07
err2
PREAI
errMcgaughey, Alan J. H.; Lindsay, Lucas; Bao, Hua; Hamakawa, Tomu; Juneja, Rinkle; Li, Shouhang; Li, Wu; Masuki, Ryota; Meng, Fanchen; Meng, Han; Pandey, Tribhuwan; Shao, Cheng; Shiomi, Junichiro; Tadano, Terumasa; Togo, Atsushi; Wang, Ao; Zhang, Xinyu
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Projector-based efficient estimation of force constants
errPHYSICAL REVIEW B
IF3.7
err2024-12-02
err1
errOAAI
errSeko, Atsuto; Togo, Atsushi
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On-the-fly training of polynomial machine learning potentials in computing lattice thermal conductivity
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-06-04
err4
errOAAI
errTogo, Atsushi; Seko, Atsuto
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errSave
Symmetry analysis with spin crystallographic groups: Disentangling effects free of spin-orbit coupling in emergent electromagnetism
errPHYSICAL REVIEW B
IF3.7
err2024-03-28
err10
errOAAI
errWatanabe, Hikaru; Shinohara, Kohei; Nomoto, Takuya; Togo, Atsushi; Arita, Ryotaro
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Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method
errPHYSICAL REVIEW B
IF3.7
err2022-09-29
err19
errOAAI
errEngel, Manuel; Miranda, Henrique; Chaput, Laurent; Togo, Atsushi; Verdi, Carla; Marsman, Martijn; Kresse, Georg
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Structural dynamics of Schottky and Frenkel defects in ThO2: a density-functional theory study
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2022-01-01
err15
errOAAI
errMoxon, Samuel; Skelton, Jonathan; Tse, Joshua S.; Flitcroft, Joseph; Togo, A.; Cooke, David J.; da Silva, E. Lora; Harker, Robert M.; Storr, Mark T.; Parker, Stephen C.; Molinari, Marco
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Phonon structure of titanium under shear deformation along {10(1)over-bar2} twinning mode
errPHYSICAL REVIEW B
IF3.7
err2020-07-17
err2
errOAAI
errTogo, Atsushi; Inoue, Yuta; Tanaka, Isao
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Finite-displacement computation of the electron-phonon interaction within the projector augmented-wave method
errPHYSICAL REVIEW B
IF3.7
err2019-11-27
err22
PREAI
errChaput, L.; Togo, Atsushi; Tanaka, Isao
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Group-theoretical high-order rotational invariants for structural representations: Application to linearized machine learning interatomic potential
errPHYSICAL REVIEW B
IF3.7
err2019-06-26
err39
errOAAI
errSeko, Atsuto; Togo, Atsushi; Tanaka, Isao
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Provenance, workflows, and crystallographic tools in materials science: AiiDA, spglib, and seekpath
errMRS BULLETIN
IF4.9
err2018-09-10
err8
PREAI
errPizzi, Giovanni; Togo, Atsushi; Kozinsky, Boris
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Lattice thermal conductivities of two SiO2 polymorphs by first-principles calculations and the phonon Boltzmann transport equation
errPHYSICAL REVIEW B
IF3.7
err2018-06-15
err85
errOAAI
errMizokami, Keiyu; Togo, Atsushi; Tanaka, Isao
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errSave
DynaPhoPy: A code for extracting phonon quasiparticles from molecular dynamics simulations
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2017-12-01
err151
errOAAI
errCarreras, Abel; Togo, Atsushi; Tanaka, Isao
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Mode decomposition based on crystallographic symmetry in the band-unfolding method
errPHYSICAL REVIEW B
IF3.7
err2017-01-13
err56
errOAAI
errIkeda, Yuji; Carreras, Abel; Seko, Atsuto; Togo, Atsushi; Tanaka, Isao
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errSave
Low phonon conductivity of layered BiCuOS, BiCuOSe, and BiCuOTe from first principles
errPHYSICAL REVIEW B
IF3.7
err2016-09-14
err31
errOAAI
errJi, Hyo Seok; Togo, Atsushi; Kaviany, Massoud; Tanaka, Isao; Shim, Ji Hoon
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Point defects in ZnO: an approach from first principles
errSCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS
IF6.9
err2016-01-12
err317
errOAAI
errOba, Fumiyasu; Choi, Minseok; Togo, Atsushi; Tanaka, Isao
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Prediction of Low-Thermal-Conductivity Compounds with First-Principles Anharmonic Lattice-Dynamics Calculations and Bayesian Optimization
errPHYSICAL REVIEW LETTERS
IF9
err2015-11-10
err378
errOAAI
errSeko, Atsuto; Togo, Atsushi; Hayashi, Hiroyuki; Tsuda, Koji; Chaput, Laurent; Tanaka, Isao
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errSave
First principles phonon calculations in materials science
errSCRIPTA MATERIALIA
IF5.6
err2015-11-01
err8.8K
errOAAI
errTogo, Atsushi; Tanaka, Isao
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Influence of the exchange-correlation functional on the quasi-harmonic lattice dynamics of II-VI semiconductors
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2015-08-14
err101
errOAAI
errSkelton, Jonathan M.; Tiana, Davide; Parker, Stephen C.; Togo, Atsushi; Tanaka, Isao; Walsh, Aron
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errSave
Distributions of phonon lifetimes in Brillouin zones
errPHYSICAL REVIEW B
IF3.7
err2015-03-20
err1.2K
errOAAI
errTogo, Atsushi; Chaput, Laurent; Tanaka, Isao
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Research Directions

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Co-authors
Cooperation Journals
T
Takashi Taniguchi
H-index: 198 · Papers: 5.5K
M
Michel W. Barsoum
H-index: 140 · Papers: 795
G
Georg Kresse
H-index: 128 · Papers: 503
A
Aron Walsh
H-index: 126 · Papers: 987
L
Lars Hultman
H-index: 116 · Papers: 999
View more