- Atomistix
Atomistix A/S was a software company developing tools for atomic scale modelling. It was headquartered in
Copenhagen ,Denmark , with a subsidiary for Asia Pacific inSingapore and for the Americas inCalifornia . Atomistix A/S went bankrupt in 2008.Infobox_Company
company_name = Atomistix A/S
company_type =A/S | foundation =2003 inCopenhagen ,Denmark
location =Copenhagen ,Denmark
num_employees = 50 (2007 )
industry = Nanotechnology software
products = Atomic scale modeling tools
homepage = [http://www.atomistix.com www.atomistix.com]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 toFortran in which TranSIESTA was written. This code had been completely reengineered and further developed into the commercial products marketed by the company today. Since the very beginning the company had been working in close collaboration with the Nano-Science Center at theNiels Bohr Institute of Copenhagen University, to enhance the product development, and had instituted cooperations with leading nanotechnology centers, experts and private companies around the world.Business
The management team consisted of:
*Børge Witthøft, President andChief Executive Officer (CEO).
*Dr. Jeremy Taylor, Co-founder andChief Technical Officer (CTO).
*Klaus Melchior,Chief Operating Officer (COO) andChief Financial Officer (CFO).
*Niels Nielsen,Vice President (VP) Sales and Marketing.Products
Atomistix A/S provided the following products:
*
Atomistix ToolKit (ATK)
*Atomistix Virtual NanoLab (VNL)Legacy Products:
*IView
*TranSIESTA-CThese products represented 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
Atomistix Virtual NanoLab , a metaphoric interface, mimicking "in silico " the approach of an experiment in a real laboratory. The underlying computational engine is theAtomistix ToolKit (ATK) which is the next generation of TranSIESTA-C. ATK also has a Python based interfaceNanoLanguage and a text file interface.The methods used in the software products are based primarily on
Density Functional Theory (DFT) andNon-Equilibrium Green's Function (NEGF) techniques and also all the underlyingquantum mechanics .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 Sánchez-Portal. The SIESTA method for ab initio order-N materials simulation. J. Phys.:Condensed Matter 14, 2745-2778 (2002)ee also
*
Semiconductor
*Nanotechnology
*Molecular modelling
* Software for molecular modelingExternal links
* [http://atomistix.com Atomistix website]
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