Blog posts

2024

QE PWscf Energy Barrier

10 minute read

Published:

Quantum Espresso PWscf vacancy migration energy barrier calculation through Climbing Image Nudeged Elastic Band (CI-NEB)

PIERS2024 in Chengdu :smile:

less than 1 minute read

Published:

(from left) with Dr. Sichao Qu, Prof. Nicholas X. Fang, Dr. Erqian Dong