Links

Density Functional Theory (DFT) Softwares

• Gaussian 16

• SIESTA

• ADF

• Quantum Expresso

  • pwgui

• DALTON

• VASP

• Qchem

• Orca

  • example

• GAMESS (US)

  • example

Molecular Dynamics (MD) Softwares

• GROMACS

  • • ffamber port

    • SwissParam

• AMBER

• TINKER

Visualization Softwares

• Gauss View 5

• GaussSum

• VMD

• XCrySDen

• Mercury

• X3DNA

• ChemDraw

• Biomer

Ab initio Molecular Dynamics Softwares

• CPMD

• CP2K

Graphical Softwares

• gnuplot

• xmgrace

Unit Conversion

• Energy Unit Converter

• Constants and Energy Conversion Unit

• Length

• Temperature

Template

• Latex template for scientific journals

Miscellaneous

• Atomic Orbital

• Open Babel

• Guide to Available Math. Softwares (GAMS)

• make-na server

• fullerenes

• brainyquote

• findmysamsung

• IRC

• EMSL Basis Set Exchange