Atomistix

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 in Singapore and for the Americas in California. Atomistix A/S went bankrupt in 2008.

Infobox_Company
company_name = Atomistix A/S
company_type = A/S| foundation = 2003 in Copenhagen, 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 to Fortran 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 the Niels 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 and Chief Executive Officer (CEO).
*Dr. Jeremy Taylor, Co-founder and Chief Technical Officer (CTO).
*Klaus Melchior, Chief Operating Officer (COO) and Chief 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-C

These 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 the Atomistix ToolKit (ATK) which is the next generation of TranSIESTA-C. ATK also has a Python based interface NanoLanguage and a text file interface.

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.

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 modeling

External links

* [http://atomistix.com Atomistix website]


Wikimedia Foundation. 2010.

См. также в других словарях:

  • Atomistix Virtual NanoLab — (VNL) is a commercial point and click software for simulation and analysis of physical and chemical properties of nanoscale devices. Virtual NanoLab is developed and sold commercially by Atomistix A/S. Features With its graphical interface,… …   Wikipedia

  • Atomistix ToolKit — (ATK) is a commercial software, developed by Atomistix A/S, for atomic scale modeling and simulation of nanosystems. Atomistix ToolKit is a further development of TranSIESTA C, which in turn in based on the technology, models, and algorithms… …   Wikipedia

  • NanoLanguage — is a scripting interface built on top of the interpreted programming language Python, and is primarily intended for simulation of physical and chemical properties of nanoscale systems. Contents 1 Introduction 2 Features 3 Example 4 …   Wikipedia

  • VNL — may refer to * [http://www.vnl.in Vihaan Networks Limited] * Atomistix Virtual NanoLab * von Neumann Landauer, see Reversible computing * Video Networks Limited …   Wikipedia

  • Chimie Numérique — La chimie numérique (désignée parfois aussi par l anglicisme chimie computationnelle) est une branche de la chimie et/ou de la physico chimie qui utilise les lois de la chimie théorique exploitées dans des programmes informatiques spécifiques… …   Wikipédia en Français

  • Chimie computationelle — Chimie numérique La chimie numérique (désignée parfois aussi par l anglicisme chimie computationnelle) est une branche de la chimie et/ou de la physico chimie qui utilise les lois de la chimie théorique exploitées dans des programmes… …   Wikipédia en Français

  • Chimie numerique — Chimie numérique La chimie numérique (désignée parfois aussi par l anglicisme chimie computationnelle) est une branche de la chimie et/ou de la physico chimie qui utilise les lois de la chimie théorique exploitées dans des programmes… …   Wikipédia en Français

  • Chimie numérique — La chimie numérique (désignée parfois aussi par l anglicisme chimie computationnelle) est une branche de la chimie et/ou de la physico chimie qui utilise les lois de la chimie théorique exploitées dans des programmes informatiques spécifiques… …   Wikipédia en Français

  • Méthodes de chimie numérique dans les systèmes solides — Chimie numérique La chimie numérique (désignée parfois aussi par l anglicisme chimie computationnelle) est une branche de la chimie et/ou de la physico chimie qui utilise les lois de la chimie théorique exploitées dans des programmes… …   Wikipédia en Français

  • Theorie de la fonctionnelle de la densite — Théorie de la fonctionnelle de la densité Méthodes numériques pour le calcul de la structure électronique Hartree Fock Théorie de la perturbation de Møller Plesset Interaction de configuration Méthode du cluster couplé Champ multi… …   Wikipédia en Français


Поделиться ссылкой на выделенное

Прямая ссылка:
Нажмите правой клавишей мыши и выберите «Копировать ссылку»