GitHub-hosted personal website.
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Updated
Mar 23, 2024 - Jupyter Notebook
GitHub-hosted personal website.
Render Gaussian cube files using Blender and Python
Some part of USPEX source code is published here to help users to interface new codes with USPEX, or debug the previous interfaces. Now, It is also possible to add new fitness functions to USPEX. This will allow users to search for any property that they want using evolutionary algorithm USPEX.
A light-weight sTD-DFT library and runner
scripts for simplifiing the usual work with results of VASP calculations
School Project: Laser game. Detecting and treating infrared signals form the guns to count the score.
A collection of all my personal Quantum Espresso projects
netDFT : JAVA Density Functional Theory For
Workflow tools for high-throughput QC calculations
Find the DFT of a real signal of N samples
Software for ORCA DFT Infrared data extraction, spectrum vizualization and csv export
Optimized geometries of single molecules
Calculation of DFT and IDFT of N Point Sequence
The Simple Python Computational Chemistry Interface (SPyCCI) provides a simple interface to run calculation and analysis using a wide range of computational chemistry softwares.
Senior thesis for Physics Bachelor's Degree
VASP input files required to conduct DFT calculations of the interface between silicon carbide and polyurethane.
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