Search research articles
Contact Us
Filters
Showing results (1-10 of 14) with videos related to
Page
of 2
Sort By:
Physical Chemistry Chemical Physics : PCCP
|
December 5, 2018
Structural and chemical analysis of second-row impurities in liquid lead-bismuth eutectic by first-principles molecular dynamics
Junhyoung Gil, Takuji Oda
The Journal of Chemical Physics
|
April 24, 2020
Solution enthalpy calculation for impurity in liquid metal by first-principles calculations: A benchmark test for oxygen impurity in liquid sodium
Junhyoung Gil, Takuji Oda
Physical Chemistry Chemical Physics : PCCP
|
December 8, 2021
Correction methods for first-principles calculations of the solution enthalpy of gases and compounds in liquid metals
Junhyoung Gil, Takuji Oda
Journal of Chemical Theory and Computation
|
August 9, 2022
Accurate and Efficient Calculation of the Solution Enthalpy and Diffusivity of Solutes in Liquid Metals Using Machine Learning Potential
Junhyoung Gil, Takuji Oda
Physical Chemistry Chemical Physics : PCCP
|
July 27, 2023
Temperature dependence of O solubility in liquid Na by atomistic simulation of Na(l)-Na<sub>2</sub>O(s) interfaces using corrected machine learning potential: a step towards simulating Na combustion
Chaeyeong Kim, Takuji Oda
Physical Chemistry Chemical Physics : PCCP
|
June 11, 2025
Efficient calculations of impurity diffusivity in metals by linearized multi-band embedded atom method potentials
Sehyeok Park, Takuji Oda
Physical Chemistry Chemical Physics : PCCP
|
April 1, 2017
Chemical states of 3d transition metal impurities in a liquid lead-bismuth eutectic analyzed using first principles calculations
Jeong-Hwan Han, Takuji Oda
The Journal of Chemical Physics
|
April 16, 2018
Performance of exchange-correlation functionals in density functional theory calculations for liquid metal: A benchmark test for sodium
Jeong-Hwan Han, Takuji Oda
Physical Chemistry Chemical Physics : PCCP
|
November 20, 2019
Chemical origin of differences in steel corrosion behaviors of s-electron and p-electron liquid metals by first-principles calculation
Jeong-Hwan Han, Takuji Oda
The Journal of Chemical Physics
|
October 5, 2013
Study of intrinsic defects in 3C-SiC using first-principles calculation with a hybrid functional
Takuji Oda, Yanwen Zhang, William J Weber
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
December 5, 2018
Structural and chemical analysis of second-row impurities in liquid lead-bismuth eutectic by first-principles molecular dynamics
Junhyoung Gil, Takuji Oda
The Journal of Chemical Physics
|
April 24, 2020
Solution enthalpy calculation for impurity in liquid metal by first-principles calculations: A benchmark test for oxygen impurity in liquid sodium
Junhyoung Gil, Takuji Oda
Physical Chemistry Chemical Physics : PCCP
|
December 8, 2021
Correction methods for first-principles calculations of the solution enthalpy of gases and compounds in liquid metals
Junhyoung Gil, Takuji Oda
Journal of Chemical Theory and Computation
|
August 9, 2022
Accurate and Efficient Calculation of the Solution Enthalpy and Diffusivity of Solutes in Liquid Metals Using Machine Learning Potential
Junhyoung Gil, Takuji Oda
Physical Chemistry Chemical Physics : PCCP
|
July 27, 2023
Temperature dependence of O solubility in liquid Na by atomistic simulation of Na(l)-Na<sub>2</sub>O(s) interfaces using corrected machine learning potential: a step towards simulating Na combustion
Chaeyeong Kim, Takuji Oda
Physical Chemistry Chemical Physics : PCCP
|
June 11, 2025
Efficient calculations of impurity diffusivity in metals by linearized multi-band embedded atom method potentials
Sehyeok Park, Takuji Oda
Physical Chemistry Chemical Physics : PCCP
|
April 1, 2017
Chemical states of 3d transition metal impurities in a liquid lead-bismuth eutectic analyzed using first principles calculations
Jeong-Hwan Han, Takuji Oda
The Journal of Chemical Physics
|
April 16, 2018
Performance of exchange-correlation functionals in density functional theory calculations for liquid metal: A benchmark test for sodium
Jeong-Hwan Han, Takuji Oda
Physical Chemistry Chemical Physics : PCCP
|
November 20, 2019
Chemical origin of differences in steel corrosion behaviors of s-electron and p-electron liquid metals by first-principles calculation
Jeong-Hwan Han, Takuji Oda
The Journal of Chemical Physics
|
October 5, 2013
Study of intrinsic defects in 3C-SiC using first-principles calculation with a hybrid functional
Takuji Oda, Yanwen Zhang, William J Weber
Page
of 2