Two papers related to MD simulation of BaTiO3 were published.

  • Genki Deguchi, et al., “Asymmetric Domain Nucleation from Dislocation Core in Barium Titanate: Molecular Dynamics Simulation using Machine-Learning Potential through Active Learning”, Phys. Status Solidi RRL, (2023). DOI:10.1002/pssr.202300292
  • Hikaru Azuma, et al., “Tuning Ferroelectric Properties of Barium Titanate by Lateral Strain: A Molecular Dynamics Simulation Study”, Phys. Status Solidi RRL, (2023). DOI:10.1002/pssr.202300290

Recent posts

Generating VASP inputs via ASE

On jupyter notebook This is done on jupyter notebook, and it can be read via nbviewer web service. See the link below: Generating VASP inputs via ASE How to put your jupyter notebook on the web? When you make a jupyter notebook, put it at somewhere public place like Dropbox/Public/. And get the URL of the file and put it in the search box at jupyter nbviewer website. Then you get the URL of nbviewer page of your notebook.

Crystal structures on the web

島根大?の 大庭研究室のウェブサイト に結晶構造分類が載っている.便利. Strukturbericht symbol (A1, B2など) と Pearson symbol のどちらも載っている.