- General purpose DFT and beyond Codes
- Lattice Dynamics Code
- Scripts
- Visualization code or software
- Structure database
- English writting
- Coding tools and libraries
- Experimental related database
- Emperical potential database
- Science
- Github
- Blog
- Online tools
- VASP www.vasp.at
- Quantum-espresso https://www.quantum-espresso.org
- GPAW https://wiki.fysik.dtu.dk/gpaw/
- QuantumATK https://docs.quantumatk.com/index.html
- Wannier90 http://www.wannier.org
- Atomic Simulation Environment https://wiki.fysik.dtu.dk/ase/
- NEB https://theory.cm.utexas.edu/vtsttools/neb.html
- DFTB+ https://www.dftbplus.org
- xtb https://xtb-docs.readthedocs.io/en/latest/contents.html
- pybinding https://docs.pybinding.site
- TB2J https://tb2j.readthedocs.io
- Kwant https://kwant-project.org/
- Lammps https://lammps.sandia.gov
- Phonopy https://atztogo.github.io/phonopy/
- Phono3py http://atztogo.github.io/phono3py/
- Phonopy-Spectroscopy https://github.com/JMSkelton/Phonopy-Spectroscopy
- Raman-sc https://github.com/raman-sc/VASP
- galore https://galore.readthedocs.io/en/latest/readme.html
- potfit https://www.potfit.net/wiki/doku.php
- vaspkit http://vaspkit.sourceforge.net
- cif2cell https://sourceforge.net/projects/cif2cell/
- Vesta http://jp-minerals.org/vesta/en/
- Ovito https://www.ovito.org
- POV-Ray http://www.povray.org
- matplotlib https://matplotlib.org
- Gnuplot http://www.gnuplot.info
- ImageJ https://imagej.net/Welcome
- sumo (Band and DOS plot) https://sumo.readthedocs.io/en/latest/
- Materials project https://materialsproject.org
- American Mineralogist Crystal Structure Database http://rruff.geo.arizona.edu/AMS/amcsd.php
- 2D structures and layered materials https://www.materialscloud.org/discover/2dstructures/dashboard/ptable
- Computational 2D materials database https://cmrdb.fysik.dtu.dk/c2db/
- COMPUTATIONAL MATERIALS REPOSITORY(CMR) https://cmr.fysik.dtu.dk
- PubChem https://pubchem.ncbi.nlm.nih.gov
- merriam-webster https://www.merriam-webster.com
- Thesaurus https://www.thesaurus.com
- linggle https://linggle.com
- Latex https://www.tug.org/texlive/
- Cmake https://cmake.org
- GNU make https://www.gnu.org/software/make/manual/make.html
- Visual studo code https://code.visualstudio.com
- git https://git-scm.com
- lldb http://lldb.llvm.org, GDB https://www.gnu.org/software/gdb/
- Valgrind https://valgrind.org
- Intel parallel studio XE https://software.intel.com/en-us/parallel-studio-xe
- MPICH http://www.mpich.org
- Open MPI https://www.open-mpi.org
- Eigen https://eigen.tuxfamily.org/dox/
- Qt https://www.qt.io
- Boost C++ library https://www.boost.org
- GNU Scientific Library https://www.gnu.org/software/gsl/doc/html/
- FFTW http://www.fftw.org
- Voro++ http://math.lbl.gov/voro++/
- Spglib https://atztogo.github.io/spglib/
- WebPlotDigitizer https://automeris.io/WebPlotDigitizer/
- JSON viewer http://jsonviewer.stack.hu
- Jupyter Notebook https://jupyter.org
- Anaconda https://www.anaconda.com
- Intel Math Kernel Library Link Line Advisor https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor
- sphinx http://www.sphinx-doc.org/en/master/
- rst https://docutils.sourceforge.io/docs/user/rst/quickref.html
- RRUFF Project website containing an integrated database of Raman spectra, X-ray diffraction and chemistry data for minerals. http://rruff.info
- NIST Chemistry WebBook https://webbook.nist.gov/chemistry/form-ser/
- Nist potentials https://www.ctcms.nist.gov/potentials/
- The determination of point groups https://www.slideshare.net/ZuhriyatusSholichah/the-determination-of-point-groups
- Google's software suite for combinatorial optimization. https://github.com/google/or-tools
- molecular point group symmetry lib. https://github.com/mcodev31/libmsym
- Semiempirical Extended Tight-Binding Program Package (from H~Rn). https://github.com/grimme-lab/xtb
- stk: A Python Toolkit for Supramolecular Assembly https://github.com/lukasturcani/stk
- Awesome Materials Informatics https://github.com/tilde-lab/awesome-materials-informatics
- https://dannyvanpoucke.be
- wxWidgets http://www-h.eng.cam.ac.uk/help/tpl/graphics/wxWidgets.html
- Toplogial insulator https://topocondmat.org
- Regula Expression 101 https://regex101.com
- Online JSON Viewer http://jsonviewer.stack.hu
- Online XML Viewer https://jsonformatter.org/xml-parser