JOSS Papers: DFT

All Papers
3469
 Published Papers
3039
 Active Papers
430
published Published 6 months ago

COBRAPRO: A MATLAB toolbox for Physics-based Battery Modeling and Co-simulation Parameter Optimization

MATLAB
@COBRAPROsimulator
10.21105/joss.06803
published Published 7 months ago

Simple DFT-D3: Library first implementation of the D3 dispersion correction

Fortran Meson Python
@awvwgk
10.21105/joss.07169
published Published 11 months ago

VOTCA: multiscale frameworks for quantum and classical simulations in soft matter

Python Gnuplot C++
@junghans
10.21105/joss.06864
published Published about 1 year ago

doped: Python toolkit for robust and repeatable charged defect supercell calculations

Python Ruby Jupyter Notebook
@kavanase
10.21105/joss.06433
published Published about 2 years ago

Atomic Simulation Interface (ASI): application programming interface for electronic structure codes

C
@PavelStishenko
10.21105/joss.05186
published Published about 2 years ago

excitingtools: An exciting Workflow Tool

Python
@AlexBuccheri
10.21105/joss.05148
published Published over 2 years ago

solid_dmft: gray-boxing DFT+DMFT materials simulations with TRIQS

PHP
@the-hampel
10.21105/joss.04623
published Published over 6 years ago

dfitspy: a dfits|fitsort implementation in python

Python
@Romain-Thomas-Shef
10.21105/joss.01249
published Published over 6 years ago

stats19: A package for working with open road crash data

R
@robinlovelace
10.21105/joss.01181
published Published almost 7 years ago

jstor: Import and Analyse Data from Scientific Texts

R
@tklebel
10.21105/joss.00883
Displaying papers 1 - 10 of 13 in total

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ISSN 2475-9066