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electronic-structure

Here are 5 public repositories matching this topic...

SPARC-X / SPARC

Simulation Package for Ab-initio Real-space Calculations

hpc portable density-functional-theory large-scale massively-parallel boundary-conditions electronic-structure kohn-sham aimd easy-install finite-difference-method dft-calculations structural-optimization real-space machine-learned-potential

Updated Nov 14, 2024
C

edponce / dmrgpp

A free and open source implementation of the DMRG Algorithm

electronic-structure dmrg-algorithm lanczos-algorithm

Updated Jul 24, 2016
C

berquist / libresponse

A library for solving (linear) response equations in quantum chemistry

cpp quantum-chemistry electronic-structure molecular-properties

Updated May 18, 2020
C

numericalEFT / ElectronLiquid.jl

Effective field theory approach to the electron liquid problem

monte-carlo julia-language electronic-structure quantum-field-theory electron-liquid electron-gas

Updated Oct 21, 2024
C

ElsevierSoftwareX / SOFTX_2020_221

Simulation Package for Ab-initio Real-space Calculations. To cite this Original Software Publication: https://www.sciencedirect.com/science/article/pii/S2352711021000546

density-functional-theory electronic-structure kohn-sham real-space

Updated May 13, 2021
C

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