Atomistix is a software company engaged in development and sale of leading edge modelling tools for nanotechnologies. Our flagship product, TranSIESTA-C, is the first commercial software for atomic scale modelling of the electrical properties of nanoscale devices.
Our corporate objective is to become a leading provider of software tools that enable the R&D of nanotechnologies. We will reach this goal by providing the newest atomic-scale modelling techniques in a flexible and easy-to-use software package.
The unique feature of our TranSIESTA-C software is its ability to treat open systems, where an applied voltage bias is driving an electrical current through the system. The method is a first principles method based on density functional theory, and does not depend on any adjustable parameters. The system can be any nanoscale device of the form metal-device-metal, where "device" can be a molecule, nanotube, cluster of atoms, semiconductor, or an interface between two materials. The method describes the current-induced physics and chemistry, like the voltage drop in the devices and the quantum states of the current carrying electrons and current induces forces.
TranSIESTA-C is also capable of performing conventional electronic structure simulations. It is based on efficient electronic structure methods and is a very accurate and efficient method for geometry optimization.