zhongnanxu/jasp
python enhancements of ase.calculators.vasp
Developer Profile
zhongnanxu
Discovered public repositories for zhongnanxu in the GitHub catalog.
zhongnanxu/Emacs
My Emacs configurations
zhongnanxu/rutile-OER
Supporting information data files for manuscript "A linear response, DFT+U study of trends in the oxygen evolution activity of transition metal rutile dioxides" by Zhongnan Xu, Jan Rossmeisl, John R. Kitchin
zhongnanxu/ase_addons
Contains bulk structures, surface slabs, and convenience functions to use with the atomic simulation environment (ASE)
zhongnanxu/espresso
ASE interface for quantum espresso
zhongnanxu/ase-ddec-jasp
Package that connects density derived electronic charges (DDEC) with VASP calculations to be used in atomic simulation environment (ASE)
zhongnanxu/zx-dft-course
This includes work done for 06-640 molecular simulation class for the fall 2012 semester