NanoacademicTech--NanoDCALplus

Nanoacademic Technologies develops advanced and innovative DFT‐based solvers to study and predict materials and devices properties, as well as CAD toolsfor quantum computing technologies.

NanoDCAL+ is an evolution of our state‐of‐the‐art general‐purpose first principles quantum transport package NanoDCAL – combining the nonequilibrium Green’s functions (NEGF) formalism with density functional theory (DFT) – that predicts nonequilibrium quantum transport in nanostructures, including current‐voltage characteristics of nanoscale devices and boasts new features, architecture and improved performance.

NanoDCAL+ (Nano DFT CALculator plus) is an LCAO implementation of NEGF–DFT.

It is a general‐purpose tool for ab initio modeling of non‐equilibrium quantum transport. It inherits from NanoDCAL which has been used in hundreds of scientific publications in domains as varied as molecular electronics, nanotubes,topological insulators, batteries, magnetic tunnel junctions, metal grain boundaries and more. Its complementary set of features makes the best technological base for your R&D projects.

Key features:

• Convenient Python API to efficient Fortran core
• Enhanced modularity and a brand‐new GUI 
• Improved parallelism, hardware portability and performance
• Focus on molecular and nanoscale electronics (realistic large‐scale systems up to10k+ atoms)
• Spintronics (collinear / non‐collinear / spin‐orbit coupling)§Semiconductor nanoelectronics (I‐V curve)
• Transmission, current and conductance calculators

Python API and plotting tools

Band diagrams and I–V curves

Quantum transport through molecules, 2D materials, and large atomic systems

Scattering states, photocurrents, thermoelectric currents, phonons calculations are part ofNanoDCALlegacy version.

Updates and new versions are released on a regular basis and technical support is available to help our users by offering the best possible experience.