Mitigating proton trapping in cubic perovskite oxides via ScO6 octahedral networks
| About | Molecular dynamics trajectory for proton diffusion in heavily Sc-doped BaSnO3, the force field used for the simulation, and training data for the machine-learning force field. |
|---|---|
| URL | https://isspns-gitlab.issp.u-tokyo.ac.jp/skasamatsu/perovskite_proton |
| DOI | |
| Authors | Shusuke Kasamatsu |
| License | CC BY 4.0 |
| Category | Molecular dynamics , Machine learning |
| References | |
| Related software | abICS, allegro, LAMMPS |
| Contact ※Please replace __at__ with @. |
kasamatsu__at__sci.kj.yamagata-u.ac.jp |
| Note |