Sonu Kumar's Projects
Basis expansion solution to quantum 1D quantum potentials.
A FORTRAN numerical library.
A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport
Machine learning predictions of bond dissociation energy
A collection of resources and tools designed to provide guidelines for ethical modeling.
Popular algorithms explained in simple language with examples and links to their implementation in various programming languages and other required resources.
a set of classes and routines for structural alignment
Feature engineering is the process of using domain knowledge to extract features from raw data via data mining techniques. These features can be used to improve the performance of machine learning algorithms. Feature engineering can be considered as applied machine learning itself.
Electronic transport properties from first-principles calculations
Advent of Code 2021 solutions in Fortran
Complex Version of P_ARPACK, rewritten in f90 and tested in various system
Blender extensions for illustrations of phonons
Examples of converting proprietary ASCII formats to HDF5
Animations using https://github.com/ajjackson/ascii-phonons
Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles
ase interface for Quantum Espresso
Examples of using the Atomic Simulation Environment
A plugin for running the Fortran Package Manager (fpm) from within Atom
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
External index files for https://atom.io/packages/autocomplete-fortran
automated reaction profile generation
Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
Using quantum chemical computation to find important reactions without requiring human intuition.
AutoTST: A framework to perform automated transition state theory calculations
:page_facing_up: Awesome CV is LaTeX template for your outstanding job application
Curated list of known efforts in materials informatics
Brilliantly Advanced General Electronic-structure Library
React
Typescript
Django
Laravel
Facebook
Microsoft
Google
Alibaba
D3
Tencent