Information

Official site

http://www.advancesoft.jp/product/advance_nanolabo/

License

  • Advance/NanoLabo: commercial license
  • Quantum ESPRESSO and LAMMPS: Executable files complied by AdvanceSoft are redistributed under GPL v2.
Availability
  • Windows10(64bit)
  • CentOS 7(64bit)
  • Mac(OSX10.12)
Core Developers

AdvanceSoft Corporation

Target substance/model

GUI, open source, Quantum ESPRESSO, LAMMPS、Advance/PHASE, materials database(DB), Materials Project, PubChem, search in DB, modeling, visualization

Physical quantities that can be computed

SCF calculation, structural optimization, band structure, density of state, first principles MD, classical MD, TD-DFT (UV-visible spectrum, dielectric constant), phonon(band, density of state, IR spectrum), GIPAW(NMR spectrum), XAFS/EELS spectrum, XPS spectrum, STM image, output of charge density wave/wavefunction, simulations in solvent, elastic constant, thermodynamic quantities(enthalpy, entropy, free energy, specific heat), alloy(cluster expansion), NEB method, search of adsorption sites, charge/discharge at electrode

Methodology

first principles calculations, DFT, TD-DFT, pseudopotential method, plane-wave basis, classical MD

Parallelization

MPI, OpenMP

Related App
Other