Nikhil Singh's Projects
Source code for 100 days of code python course on YouTube
A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.
Calculate the bond length between specific atoms from the XDATCAR during VASP molecular dynamics calculations
Plotting tools for DOS,Band and others
Config files for my GitHub profile.
Make periodic table map plots and pettifor-style trend plots.
Python script to plot periodic trends as a heat map over the periodic table of elements
Comparative Analysis of Machine Learning Approaches on the Prediction of the Electronic Properties of Perovskite: A Case Study of the ABX3 and A2BB’X6
band plot using python matplotlib
Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.
Practical guide on how to use VASP
A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
Manipulating VASP files with Python.