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Computational Materials Design Lab
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Computational Materials Design Lab
  • Home
  • Research
  • Members
    • PI
    • Postdocs
    • Students
    • Alumni
  • Publications
  • Photos
  • Links
  • More
    • Home
    • Research
    • Members
      • PI
      • Postdocs
      • Students
      • Alumni
    • Publications
    • Photos
    • Links
  • Journals
    ACS (https://pubs.acs.org/)
    APS (https://www.aps.org/)
    KPS (http://www.kps.or.kr/)
    MRS (https://www.mrs.org/meetings-events)
    RSC (https://www.rsc.org/)


  • DFT codes
    Orbital basis codes
    CRYSTAL (https://www.crystal.unito.it/index.php)
    FHI-AIMS (https://fhi-aims.org/)
    OpenMX (http://www.openmx-square.org/)
    SIESTA (https://siesta-project.org/siesta/)

    Plan wave codes
    ABINIT (https://www.abinit.org/)
    CASTEP (http://www.castep.org/)
    GPAW (https://wiki.fysik.dtu.dk/gpaw/)
    VASP (https://www.vasp.at/)
    Quantum espresso (https://www.quantum-espresso.org/)

    All electron codes
    ELK (http://elk.sourceforge.net/)
    EXCITING (http://exciting-code.org/)
    WIEN2K (http://www.wien2k.at/)

    Quantum chemistry codes
    Gaussian (https://gaussian.com/)
    NWChem (https://nwchemgit.github.io/)
    Octopus (https://octopus-code.org/wiki/Main_Page)
    QCHEM (http://www.q-chem.com/)

    Pseudopotentials
    ABINIT pseudopotentials (https://www.abinit.org/psp-tables)
    DOJO pseudopotentials (http://www.pseudo-dojo.org/)
    GBRV pseudopotentials (https://www.physics.rutgers.edu/gbrv/)
    ONCV pseudopotentials (http://www.quantum-simulation.org/potentials/sg15_oncv/)
    SCAN pseudopotentials (https://yaoyi92.github.io/scan-tm-pseudopotentials.html)
    SSS pseudopotentials (http://theossrv1.epfl.ch/Main/Pseudopotentials)

    Other codes
    BerkeleyGW (https://berkeleygw.org/)
    Boltztrap (https://www.imc.tuwien.ac.at/index.php?id=21094)
    EPW (https://epw-code.org/)
    GIPAW (https://github.com/dceresoli/qe-gipaw/)
    Phonopy (https://phonopy.github.io/phonopy/)
    WANNIER90 (http://www.wannier.org/)


  • Materials DB
    AiiDA (http://www.aiida.net/)
    KIST-NOMAD (http://www.vfab.org/index.php/kist-nomad/)
    Materials Cloud (https://www.materialscloud.org/home)
    Materials Project (https://materialsproject.org/)
    MOFDB (https://mof.tech.northwestern.edu/)
    NOMAD (https://nomad-coe.eu/)
    Phonon DB (http://phonondb.mtl.kyoto-u.ac.jp/)


  • Useful tools
    Bilbao crystallographic server (https://www.cryst.ehu.es/)
    Critic2 (https://aoterodelaroza.github.io/critic2/)
    Effective mass calculator (https://github.com/afonari/emc)
    FINDSYM (https://stokes.byu.edu/iso/findsym.php)
    Henkelman's code (https://theory.cm.utexas.edu/henkelman/code/)
    ISOTROPY (https://stokes.byu.edu/iso/isotropy.php)
    Materials Cloud Tools (https://www.materialscloud.org/work/tools/options)
    VESTA (https://jp-minerals.org/vesta/en/)
    XCrySDen (http://www.xcrysden.org/)


  • Platforms
    Materials Square (https://next.materialssquare.com/)
    qCat and qBaandi (http://qcat.vfab.org/)
    Virtual Analysis Center (http://161.122.36.120:8003/login)


  • Faith
    Bible (https://www.bible.com/bible/114/GEN.1.NKJV)
    Ligonier Ministries (https://www.ligonier.org/)
    Martyn Lloyd-Jones  (https://www.mljtrust.org/)

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