zhongnanxu/jasp
python enhancements of ase.calculators.vasp
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Discovered Sep 26, 2026
zhongnanxu / zx-dft-course
This includes work done for 06-640 molecular simulation class for the fall 2012 semester
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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)