Multiscale modeling of defects in semiconductors : a novel molecular-dynamics scheme. Csanyi, G., Moras, G., Kermode, J. R., Payne, M. C., Mainwood, A., & Vita, A. D. In Drabold, D. A. & Estreicher, S. K., editors, Theory of Defects in Semiconductors, volume Volume 104, of Topics in Applied Physics, pages 193–212. Springer Berlin Heidelberg, Berlin Heidelberg, 2007. ![Multiscale modeling of defects in semiconductors : a novel molecular-dynamics scheme [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper abstract bibtex Now that the modeling of simple semiconductor systems has become reliable, accurate and routine, attention is focusing on larger scale, more complex simulations. Many of these necessarily involve multiscale aspects and can only be tackled by addressing the different length scales simultaneously. We discuss some of the types of problems that require multiscale approaches. Finally we describe the LOTF (learn-on-the-fly) hybrid scheme with a series of examples to show its versatility and power.
@incollection{wrap64451,
volume = {Volume 104},
author = {Gabor Csanyi and Gianpietro Moras and James R. Kermode and Mike C. Payne and Alison Mainwood and Alessandro De Vita},
series = {Topics in Applied Physics},
booktitle = {Theory of Defects in Semiconductors},
editor = {David A. Drabold and Stefan K. Estreicher },
title = {Multiscale modeling of defects in semiconductors : a novel molecular-dynamics scheme},
address = {Berlin Heidelberg},
publisher = {Springer Berlin Heidelberg},
year = {2007},
journal = {Topics in Applied Physics},
pages = {193--212},
keywords = {p00102},
url = {https://wrap.warwick.ac.uk/64451/},
abstract = {Now that the modeling of simple semiconductor systems has become reliable, accurate and routine, attention is focusing on larger scale, more complex simulations. Many of these necessarily involve multiscale aspects and can only be tackled by addressing the different length scales simultaneously. We discuss some of the types of problems that require multiscale approaches. Finally we describe the LOTF (learn-on-the-fly) hybrid scheme with a series of examples to show its versatility and power.}
}
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