- all solid state batteries (4)
- solid electrolytes (4)
- machine learning (2)
- molecular dynamics simulations (2)
- cathode coatings (1)
- computational materials search (1)
- density functional theory (1)
- first-principles calculation (1)
- first-principles calculations (1)
- high-throughput first-principles calculation (1)
4 records found.
First‐Principles Study on the Interfacial Cathode‐Contact Stability and Li Diffusivity of N‐Doped Li 6 Zr 2 O 7 for All‐Solid‐State Li‐Ion Batteries
- Article
- Creator
-
Randy Jalem
;
Yoshitaka Tateyama
;
Kazunori Takada
;
Tetsuya Yamada
;
Katsuya Teshima
- Keyword
- all solid state batteries, lithium ion conductors, solid electrolytes, cathode coatings, first-principles calculations, molecular dynamics simulations, machine learning interatomic potentials, solid hetero-interface modeling
- Date published
- 2025-10-01
- Updated at
- 2025-12-19 08:30:58 +0900
Crystal structure, stability and Li superionic conductivity of pyrochlore-type solid electrolyte Li2−xLa(1+x)/3Nb2O6F: a first-principles calculation study
- Article
- Creator
-
Randy Jalem
;
Kazunori Takada
;
Hitoshi Onodera
;
Shuhei Yoshida
- Keyword
- all solid state batteries, solid electrolytes, first-principles calculation, molecular dynamics simulations
- Date published
- 2024-10-28
- Updated at
- 2025-10-28 08:30:19 +0900
Computational discovery of stable Na-ion sulfide solid electrolytes with high conductivity at room temperature
- Article
- Creator
-
Seong-Hoon Jang
;
Randy Jalem
;
Yoshitaka Tateyama
- Keyword
- all solid state batteries, solid electrolytes, high-throughput first-principles calculation, computational materials search, machine learning, sodium ion conductors
- Date published
- 2024-08-05
- Updated at
- 2024-10-10 16:30:52 +0900
Multiobjective Solid Electrolyte Design of Tetragonal and Cubic Inverse-Perovskites for All-Solid-State Lithium-Ion Batteries by High-Throughput Density Functional Theory Calculations and AI-Driven Methods
- Article
- Creator
-
JALEM Randy
;
TATEYAMA Yoshitaka
;
TAKADA Kazunori
;
JANG Seonghoon
- Keyword
- all solid state batteries, solid electrolytes, density functional theory, materials informatics, machine learning, novel materials search
- Date published
- 2023-09-07
- Updated at
- 2024-08-28 08:30:15 +0900