44 results on '"Ogata, Shuji"'
Search Results
2. Determining thermal activation parameters for ferroelectric domain nucleation in BaTiO3 from molecular dynamics simulations
3. Microscopic structure and migration of 90° ferroelectric domain wall in BaTiO3 determined via molecular dynamics simulations.
4. Sparse selection of bases in neural-network potential for crystalline and liquid Si
5. FE-CLIP: A tool for the calculation of the solid–liquid interfacial free energy
6. Determining thermal activation parameters for ferroelectric domain nucleation in BaTiO3 from molecular dynamics simulations.
7. Large-scale DFT simulation of quinone molecules encapsulated in single-walled carbon nanotube for novel Li-ion battery cathode
8. Asymmetric Domain Nucleation from Dislocation Core in Barium Titanate: Molecular Dynamics Simulation Using Machine‐Learning Potential through Active Learning
9. Tuning Ferroelectric Properties of Barium Titanate by Lateral Strain: A Molecular Dynamics Simulation Study
10. Vacancy-assisted ferroelectric domain growth in BaTiO3 under an applied electric field: A molecular dynamics study.
11. Erratum to “Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H+-Shift Method”
12. Large-Scale Simulations I: Methods and Applications for a Li-Ion Battery
13. Microscopic structure and migration of 90° ferroelectric domain wall in BaTiO3 determined via molecular dynamics simulations
14. Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H+-Shift Method
15. Large-Scale DFT Simulation of Li-atom Insertion and Extraction in Quinons@SWCNT Rechargeable Battery Cathodes
16. Smart MD-Sampling Method for Interfacial Free Energy between Polymer-Grafted Substrate and Liquid
17. Probing collective terahertz vibrations of hydrogen-bonded water network at buried electrochemical interfaces
18. Pressure‐assisted decomposition of tricresyl phosphate on amorphous FeO using hybrid quantum‐classical simulations
19. A molecular dynamics study on thermal conductivity of thin epoxy polymer sandwiched between alumina fillers in heat-dissipation composite material
20. Hybrid simulation research on formation mechanism of tungsten nanostructure induced by helium plasma irradiation
21. A molecular dynamics study on bubble growth in tungsten under helium irradiation
22. Probing collective terahertz vibrations of a hydrogen-bonded water network at buried electrochemical interfaces.
23. Vacancy-assisted ferroelectric domain growth in BaTiO3 under an applied electric field: A molecular dynamics study
24. Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H+‑Shift Method.
25. Pressure‐assisted decomposition of tricresyl phosphate on amorphous FeO using hybrid quantum‐classical simulations.
26. Simulation Analysis of Effect of Vacancies on Ferroic Domain Growth of BaTiO^3
27. Nonequilibrium molecular dynamics method based on coarse-graining formalism: Application to a nonuniform temperature field system
28. First-Principles Simulation Study on the Weakening of Silane Coupling to Silica under Alkaline Conditions
29. Effects of Mono/Di-Vacancies on Domain Growth of BaTiO3: An Atomistic Computer Simulation Study
30. First-Principles Calculations of the Protonation and Weakening of Epoxy Resin under Wet Conditions
31. Protonation and weakening of an epoxy resin–SiO2 composite with silane coupling agents under moist conditions.
32. Protonation and weakening of an epoxy resin–SiO2composite with silane coupling agents under moist conditions
33. Hybrid Quantum-Classical Simulation of Li Ion Dynamics and the Decomposition Reaction of Electrolyte Liquid at a Negative-Electrode/Electrolyte Interface
34. Efficient scheme for calculating work of adhesion between a liquid and polymer-grafted substrate
35. Unveiling the Chemical Reactions Involved in Moisture-Induced Weakening of Adhesion between Aluminum and Epoxy Resin
36. Combination of first-principles molecular dynamics and XANES simulations for LiCoO2 -electrolyte interfacial reactions in a lithium-ion battery
37. Development of Neural-Network Interatomic Potentials for Structural Materials
38. Moisture-Induced Reduction of Adhesion Strength between Surface Oxidized Al and Epoxy Resin: Dynamics Simulation with Electronic Structure Calculation
39. Enhanced Si–O Bond Breaking in Silica Glass by Water Dimer: A Hybrid Quantum–Classical Simulation Study
40. Thermal diffusion of correlated Li-ions in graphite: A hybrid quantum–classical simulation study
41. Improved Fast Time Reversible Algorithm and Its Applications to Large-Scale Simulation of Ice
42. Fluctuating Local Recrystallization of Quasi-Liquid Layer of Sub-Micrometer-Scale Ice: A Molecular Dynamics Study
43. Erratum to "Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H + -Shift Method".
44. Protonation of Strained Epoxy Resin under Wet Conditions via First-Principles Calculations Using the H + -Shift Method.
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.