Git Product home page Git Product logo

kcantosh's Projects

phonopy-spectroscopy icon phonopy-spectroscopy

A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.

phonopy_vasp icon phonopy_vasp

This is a bash script which enable us to calculate forces of displacemented crystal structure made by Phonopy using VASP code. It's tested on a Linux cluster system.

pix2code icon pix2code

pix2code: Generating Code from a Graphical User Interface Screenshot

project1_dftu icon project1_dftu

Project #1: DFT+U Universal Input File Generation Scheme for Quantum Espresso v.5.0.1

prophet icon prophet

PROPhet is a code to integrate machine learning techniques with first-principles quantum chemistry approaches

psi4 icon psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

pycroscopy icon pycroscopy

Utilities for scientific analysis of nanoscale imaging modalities such as scanning probe microscopy, scanning tunneling spectroscopy, x-ray diffraction microscopy, and transmission electron microscopy

pymatgen icon 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.

pytket icon pytket

Python module for interfacing with the CQC t|ket> library of quantum software

pyzfs icon pyzfs

A python package to compute zero-field-splitting tensors for molecules and spin quantum bits in semiconductors.

q-e icon q-e

Official mirror of Quantum ESPRESSO

qball icon qball

Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.

quantum-computing icon quantum-computing

:rocket: Introduction to Quantum Computing and Quantum Algorithms with IBM Qiskit and D-Wave :mortar_board:

quickff icon quickff

A Python code to quickly derive ab initio parameterized force fields.

quip icon quip

libAtoms/QUIP molecular dynamics framework: http://www.libatoms.org

qutip icon qutip

QuTiP: Quantum Toolbox in Python

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. 📊📈🎉

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google ❤️ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.