Atomistix
From Wikipedia, the free encyclopedia
Atomistix A/S is a software company developing tools for atomic scale modelling. It is headquartered in Copenhagen, Denmark, and a department for Asia Pacific is also present in Singapore.
| Atomistix A/S | |
| Type of Company | A/S |
|---|---|
| Founded | 2003 in Copenhagen, Denmark |
| Headquarters | Copenhagen, Denmark |
| Industry | Nanotechnology software |
| Products | Atomic scale modeling tools |
| Employees | 35(2006) |
| Website | www.atomistix.com |
Contents |
[edit] History
The company was founded in October 2003 by Dr. Kurt Stokbro, Dr. Jeremy Taylor and Dr. Thomas Magnussen. Dr. Stokbro and Dr. Taylor are co-authors on the article [1] introducing the electron transport method and program TranSIESTA (based on the SIESTA program [2]) for academic research. This method, and methods used in Dr. Taylor Ph.D. research, was the starting point for Atomistix first product, TranSIESTA-C. The C refers to the program being written in the C programming language as opposed to Fortran in which TranSIESTA was written.
Since the very beginning the company has been working in close collaboration with the Nano-Science Center at the Niels Bohr Institute of Copenhagen University, to enhance the product development.
[edit] Business
The management consists of:
- Dr. Thomas Magnussen, Co-founder and Chief Executive Officer (CEO).
- Dr. Kurt Stokbro, Co-founder, Exec. VP Business development.
- Dr. Jeremy Taylor, Co-founder and Chief Technical Officer (CTO).
[edit] Products
Currently, Atomistix A/S provides the following products:
- Atomistix ToolKit (ATK)
- Atomistix Virtual NanoLab (VNL)
Legacy Products:
- IView
- TranSIESTA-C
These products represent a package of integrated software modules for quantum chemistry modelling, providing a user-friendly graphical interface interaction to complex computational methods.
From the usability point of view, the setup of the computation is done through a metaphoric interface, mimicking in silico the approach of an experiment in a real laboratory. The underlying computational engine is the Atomistix ToolKit (ATK) which is the next generation of TranSIESTA-C.
The methods used in the software products are based primarily on Density Functional Theory (DFT) and Non-Equilibrium Green's Function (NEGF) techniques and also all the underlying quantum mechanics.
[edit] References
- [1] Brandbyge, Mozos, Ordejón, Taylor, and Stokbro. Density-functional method for non-equilibrium electron transport. Physical Review B, Vol 65, 165401 (2002)
- [2] Soler, Artacho, Gale, García, Junquera, Ordejón, and Porta. The SIESTA method for ab initio order-N materials simulation. J. Phys.:Condensed Matter 14, 2745-2778 (2002)
