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skphy (Sonu Kumar) · GitHub

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4 followers · 9 following
  • Hokkaido University
  • Japan
  • 17:11 (UTC -12:00)

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skphy/README.md

Home page

Welcome 👋

  • 👋 Hi, I’m a computational physicist and a materials chemist.

  • 👀 I’m interested in molecules and materials.

  • 🌱 I’m currently exploring materials and molecules for energy applications using QM, tight-binding, and ML techniques.

  • I love Modern Fortran + Python, C, and a bit of C++.


💻 Programming machines using ML @EStA-HOME | 🌱 building Examples | 💬 connect @sonukumar

https://skphy.github.io


My areas of research: Thermoelectrics, Heterogeneous catalysis, and machine learning!

Electronic Structure Understanding using EStA

* Developement of electronic structure simulations using EStA

Pinned Loading

  1. kumarsonu.github.io kumarsonu.github.io Public

    electronic structure understanding site

  2. postproc_vasp postproc_vasp Public

    tool to post process the files of vasp code to get density of states and atom projected density of states

    Fortran 1

  3. rdkit_blog rdkit_blog Public

    Forked from greglandrum/rdkit_blog

    RDKit related blog posts, notebooks, and data.

    Jupyter Notebook 1

  4. PyXtal PyXtal Public

    Forked from MaterSim/PyXtal

    A code to generate atomic structure with symmetry

    Python

  5. conformer_search conformer_search Public

    Forked from larsbratholm/conformer_search

    Generate possible conformations for small molecules for subsequent semi-empirical optimization.

    Python 1

  6. Phono3py-Power-Tools Phono3py-Power-Tools Public

    Forked from skelton-group/Phono3py-Power-Tools

    Tools for Phono(3)py power users.

    Python 1

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