Nano Simulation Software

Interactive online free nanosimulation site.
  • NanoHub.org (This web site also has some great courses.)
Simulation tools
  • ESTEST s a framework to facilitate the verification and comparison of Electronic Structure codes like Qbox, Quantum Espresso, Siesta, ABINIT, and The Exciting Code.
  • Qbox project is a C++/MPI scalable parallel implementation of first-principles molecular dynamics (FPMD) based on the plane-wave, pseudopotential formalism. Qbox is designed for operation on large parallel computers.
  • Quantum Espresso s an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
  • ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis.
  • quantum-simulation.orgis a web resource for electronic structure computations and first-principles molecular dynamics simulations.