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atom-to-Device Explicit simulation
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DEEPEN launches Open Source Simulation Environment

Posted on: 25 Jan 2017

The major objective of DEEPEN is to develop an integrated multiscale simulation capability for predictive design of novel materials and nanostructures, targeted at two of the most important present device challenges, namely future CMOS and future energy-efficient light sources.

 

This OS environment has now been released with supporting materials and is available for download from the tiberCAD multiscale simulation website, hosted by DEEPEN partner, TiberLAB.  This adds to the scripts already available for band structure vizualization in Mathematica or Gnuplot, and for effective mass extraction.

 

The environment features resources useful to the modelling of nanoelectronic and III-N photonic devices. These include:

A parameter database for InGaAs alloys and for III-N alloys, collating information previously published in DEEPEN deliverable D2.5 “Tight-binding and EMA database”
A series of tools to create an open-source interface between DFT codes QE, OpenMX and Wannier90, and the non-equilibrium Green’s function codes OMEN and TiMeS.

 

The project’s OS environment is released under the GNU Lesser General Public License (GNU LGPL), ensuring that the core of the multiscale environment together with all its Application Programming Interfaces (APIs) can be distributed and even modified freely.

The OSI Environment is based on HDF framework and on UNICORE (Uniform Interface to Computing Resources).

 

Both the parameter database and open-source interface are freely available for your use. A video demo workflow showing the linking between the DFT code quantum espresso and the quantum transport code OMEN is available to view on YouTube.

                                                                                                                           

If you have any questions regarding either resource, please contact info@tiberlab.org.