Cutting-edge general-purpose first-principles quantum transport package 'NanoDCAL'
Chemical calculation software / Capable of predicting non-equilibrium quantum transport of nanostructures including current-voltage characteristics of nanoscale devices.
NanoDCAL (Nano DFT Calculator) is implemented using the linear combination of atomic orbitals (LCAO) approximation of NEGF-DFT. This product is a general-purpose tool for ab initio modeling of non-equilibrium quantum transport and has contributed to hundreds of scientific papers in various fields, including molecular electronics, nanotubes, topological insulators, batteries, magnetic tunnel junctions, and metallic grain boundaries.
- Company：ヒューリンクス
- Price：Other
