Shibu778
Ph.D. Student, Materials Research Centre, Indian Institute of Science Bangalore
Indian Institute of Science BangaloreBangalore, Karnataka, India
Pinned Repositories
CompPhysicsNotebooks
Jupyter Python Notebooks of "Computational Physics", Landau, Paez, Bordeianu
Density-Functional-Theory
Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes
kgrid
Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations
LaDa
High-Throughput Computational Physics Framework
MyCodeLibrary
Here I put all the codes made by me and taken from others for my reference.
MyNotebooks
notes
This repository is for storing notes for my reference.
passivate_nanostructure
Passivating the dangling bonds of the outer atoms of a nanodots/nanoparticle with different elements.
PythonCompphys
Some python workbooks with various topics from Computational Physics
structure2symmetry
A python command line interface to obtain symmetry information from structure file.
Shibu778's Repositories
Shibu778/structure2symmetry
A python command line interface to obtain symmetry information from structure file.
Shibu778/Density-Functional-Theory
Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes
Shibu778/notes
This repository is for storing notes for my reference.
Shibu778/matgl
Graph deep learning library for materials
Shibu778/MPInterfaces
Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).
Shibu778/espresso
Notes and tutorials on Density Functional Theory calculation using Quantum Espresso.
Shibu778/Fortran-MOOC
Material related to the PRACE MOOC on Fortran programming
Shibu778/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Shibu778/MyCodeLibrary
Here I put all the codes made by me and taken from others for my reference.
Shibu778/py4vasp
Python interface for VASP
Shibu778/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
Shibu778/pyscf
Python module for quantum chemistry
Shibu778/python-tutorial
This repository is aimed to collect useful resources and create tutorial for beginner, intermediate and advanced python programmer.
Shibu778/q-e
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
Shibu778/qutip
QuTiP: Quantum Toolbox in Python
Shibu778/qutip-tutorials
QuTiP Tutorials
Shibu778/Scientific-C-plus-plus
Repository for participants of the "Scientific C++" training
Shibu778/Shibu778
Shibu778/actions-learning-pathway
Learning automation in Github
Shibu778/ADAQ-SYM
Shibu778/cpython
The Python programming language
Shibu778/fireworks
The Fireworks Workflow Management Repo.
Shibu778/matbench
Matbench: Benchmarks for materials science property prediction
Shibu778/MLforMaterials
Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
Shibu778/portfolio-js
My portfolio
Shibu778/project-anant
project anant front end.
Shibu778/project-anant-backend
backend for project anant
Shibu778/pycaret
An open-source, low-code machine learning library in Python
Shibu778/pydefect
Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
Shibu778/skills-communicate-using-markdown
My clone repository