fp.py on ISSP Ohtaka
東大物性研のスパコン[1]のシステムBというのが使えるようになったので，そこで自分のプログラムの動作確認をした．古典力場構築プログラムfp.
News
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