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Atomistix 2006 Workshop

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2006 NSTI Nano Industrial Impact Workshop
May 7, 5.00-8.00 pm
Hynes Convention Center
Boston, Massachusetts, USA

 

 Anders BLOM - VP Technical Support, Atomistix A/S

Virtual NanoLab™

Virtual NanoLab is Atomistix' user friendly software package for simulation and analysis of atomic scale properties of nanoscale devices. The program provides intuitive and comprehensive tools for gaining insight into the properties of nanoscale devices by simulating measurements through numerical calculations. The workflow within the program is designed to resemble an actual experimental process, and allows the user to set up "virtual experiments" through atomistic modeling. A variety of instruments make it possible to model the geometry, electronic structure and electrical properties of the nanoscale system in an easy to use graphical interface.

Virtual NanoLab gives access, via its back end Atomistix Tool Kit (ATK) [1], to advanced modeling techniques such as non-equilibrium Green's functions (NEGF) and density functional theory (DFT). The program is however designed such that it is not necessary to be an expert in quantum chemistry and electronic structure calculations to use these methods; instead, the user can focus on the physical properties of the systems under investigation, and let the program worry about the details of the numerical models. For example are surfaces, which e.g. can be used as electrodes in two-probe systems, defined by simply specifying the crystal symmetry and lattice constants of the underlying bulk system, plus Miller indices and surface vectors.

In this session we will demonstrate how easily one can set up complex geometries, control the numerical parameters of the quantum-chemical model, launch calculations, and finally analyze the results of calculations in Virtual NanoLab.

References:

[1] Atomistix Tool Kit (ATK). www.atomistix.com

Dr Anders Blom, born 1973, got his degree from Lund University in Sweden where he worked mainly on theoretical calculations of resonant impurity states in semiconductor heterostructures. In addition, he has worked a lot with teaching on the university level, and designed computer exercises and written several tutorials on solid state physics and quantum mechanics. He is presently working at Atomistix A/S and is among other things in charge of requirements and specifications for Atomistix' software products, as well as the documentation of the software.


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