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Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 29, 2024
First-principles study of non-linear thermal expansion in cadmium titanate by molecular dynamics incorporating nuclear quantum effects
Kansei Kanayama, Kazuaki Toyoura
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
February 28, 2025
Quantitative evaluation of nuclear quantum effects on the phase transitions in BaTiO<sub>3</sub>using large-scale molecular dynamics simulations based on machine learning potentials
Kansei Kanayama, Kazuaki Toyoura
Physical Review. E
|
October 18, 2023
Structure search method for atomic clusters based on the dividing rectangles algorithm
Kansei Kanayama, Atsuto Seko, Kazuaki Toyoura
Physical Chemistry Chemical Physics : PCCP
|
March 4, 2021
Theoretical study on proton diffusivity in Y-doped BaZrO<sub>3</sub> with realistic dopant configurations
Takeo Fujii, Kazuaki Toyoura, Tetsuya Uda, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
February 22, 2024
High-Temperature Protonic Conduction in La<sub>2</sub>NiO<sub>4+</sub> <sub>δ</sub>-Based Ruddlesden-Popper Type Oxides: Correlation with Concentration of Interstitial Oxide Ions
Lubing Chen, Guanchao Wang, Kazuaki Toyoura, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 26, 2010
Proton mobility through a second order phase transition: theoretical and experimental study of LaNbO4
Harald Fjeld, Kazuaki Toyoura, Reidar Haugsrud, et al.
Acta Biomaterialia
|
May 14, 2014
The effect of chemical potential on the thermodynamic stability of carbonate ions in hydroxyapatite
Tomonori Kubota, Atsutomo Nakamura, Kazuaki Toyoura, et al.
Acta Biomaterialia
|
May 26, 2015
First-principles calculations of divalent substitution of Ca(2+) in tricalcium phosphates
Katsuyuki Matsunaga, Tomonori Kubota, Kazuaki Toyoura, et al.
Neural Computation
|
August 16, 2020
Active Learning for Enumerating Local Minima Based on Gaussian Process Derivatives
Yu Inatsu, Daisuke Sugita, Kazuaki Toyoura, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 25, 2015
Strong correlation in 1D oxygen-ion conduction of apatite-type lanthanum silicate
Kouta Imaizumi, Kazuaki Toyoura, Atsutomo Nakamura, et al.
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Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
July 29, 2024
First-principles study of non-linear thermal expansion in cadmium titanate by molecular dynamics incorporating nuclear quantum effects
Kansei Kanayama, Kazuaki Toyoura
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
February 28, 2025
Quantitative evaluation of nuclear quantum effects on the phase transitions in BaTiO<sub>3</sub>using large-scale molecular dynamics simulations based on machine learning potentials
Kansei Kanayama, Kazuaki Toyoura
Physical Review. E
|
October 18, 2023
Structure search method for atomic clusters based on the dividing rectangles algorithm
Kansei Kanayama, Atsuto Seko, Kazuaki Toyoura
Physical Chemistry Chemical Physics : PCCP
|
March 4, 2021
Theoretical study on proton diffusivity in Y-doped BaZrO<sub>3</sub> with realistic dopant configurations
Takeo Fujii, Kazuaki Toyoura, Tetsuya Uda, et al.
Small (Weinheim an Der Bergstrasse, Germany)
|
February 22, 2024
High-Temperature Protonic Conduction in La<sub>2</sub>NiO<sub>4+</sub> <sub>δ</sub>-Based Ruddlesden-Popper Type Oxides: Correlation with Concentration of Interstitial Oxide Ions
Lubing Chen, Guanchao Wang, Kazuaki Toyoura, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 26, 2010
Proton mobility through a second order phase transition: theoretical and experimental study of LaNbO4
Harald Fjeld, Kazuaki Toyoura, Reidar Haugsrud, et al.
Acta Biomaterialia
|
May 14, 2014
The effect of chemical potential on the thermodynamic stability of carbonate ions in hydroxyapatite
Tomonori Kubota, Atsutomo Nakamura, Kazuaki Toyoura, et al.
Acta Biomaterialia
|
May 26, 2015
First-principles calculations of divalent substitution of Ca(2+) in tricalcium phosphates
Katsuyuki Matsunaga, Tomonori Kubota, Kazuaki Toyoura, et al.
Neural Computation
|
August 16, 2020
Active Learning for Enumerating Local Minima Based on Gaussian Process Derivatives
Yu Inatsu, Daisuke Sugita, Kazuaki Toyoura, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
August 25, 2015
Strong correlation in 1D oxygen-ion conduction of apatite-type lanthanum silicate
Kouta Imaizumi, Kazuaki Toyoura, Atsutomo Nakamura, et al.
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