2008 22nd International Symposium on High Performance Computing Systems and Applications June 09-June 11 ISBN: 978-0-7695-3250-9
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/HPCS.2008.35
We report an ab initio software package MATDCAL for investigating electronic transport properties in nano electronic devices. MATDCAL is basedon carrying out real space density functional theory (DFT) within the Keldysh nonequilibrium Green's function (NEGF) framework. The code is mainly writtenin MATLAB, combining with numerically intensive part in Java for efficiency. In order to realize parallelization in MATLAB, we have implemented a C-interface in MATLAB to link to MPI. MATDCAL is the first MATLAB based electronic packagefor nanoelectronics research that is based on atomistic first principles. We report some implementation issues using MATLAB for large scale physics computation. Several examples will be given on quantum transport analysis of nano-scale devices.
Index Terms:
MATLAB, MATDCAL, DFT, MPI
Citation:
Zhanyu Ning, Hong Guo, "MATDCAL: A First Principles Package for Nanoelectronics Modeling," hpcs, pp.16, 2008 22nd International Symposium on High Performance Computing Systems and Applications, 2008 Usage of this product signifies your acceptance of the Terms of Use. | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||