NanoLabo
Advance / NanoLabo is a graphical user interface (GUI) for open source material analysis software such as Quantum ESPRESSO and LAMMPS. You can search material databases such as Materials Project and set modeling and calculation conditions extremely easily. You can perform first-principles calculations and molecular dynamics calculations and instantly visualize the results.
- Manual： https://nanolabo-doc.readthedocs.io/en/latest/
- Analysis case： http://case.advancesoft.jp/NanoLabo/index.html
Intuitive and easy-to-use GUI
It is designed for intuitive operation by minimizing the settings that the user should make. Even researchers who are not specialized in simulation can conduct research using first-principles calculations and molecular dynamics calculations alongside experiments.
Various modeling functions
- Supercell, Impurity replacement, Lattice Defects, Space group determination
- Surface models, Molecular adsorption on surfaces, Mismatched interface models
- Drawing of organic molecules, Solvent molecular packing, Polymer models
