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Multiscale Modeling of Defectsin Semiconductors:A Novel Molecular-Dynamics SchemeTheory of Defects in Semiconductors

Gábor Csányi
•
Gianpietro Moras
•
James R. Kermode
altro
DE VITA, ALESSANDRO
2006
  • book part

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
DOI
10.1007/11690320_9
Archivio
http://hdl.handle.net/11368/2560674
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-33750844032
Diritti
metadata only access
Soggetti
  • computer-assisted mol...

  • fracture

Scopus© citazioni
6
Data di acquisizione
Jun 7, 2022
Vedi dettagli
Visualizzazioni
1
Data di acquisizione
Apr 19, 2024
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