Application of Accelerated Quantum Chemical Molecular Dynamics Method to the Electric and Electronics Engineering

Toshiyuki Yokosuka, Katsumi Sasata, Akira Endou, Momoji Kubo, Akira Miyamoto

Research output: Contribution to journalArticlepeer-review

Abstract

In addition to the theoretical prediction on the properties and functions of the electric and electronics materials, the simulation on the dynamic processes, such as etching process and chemical mechanical polishing process, are strongly demanded. Recently, we have succeeded in the development of a new accelerated quantum chemical molecular dynamics program, which is more than 5,000 times faster than the regular first-principles molecular dynamics approach. This program enables us to calculate a realistic etching process, chemical mechanical polishing process, etc., employing large simulation model. In this review, we summarize the theory of our accelerated quantum chemical molecular dynamics and its application to various dynamic processes related to the electric and electronics engineering.

Original languageEnglish
Pages (from-to)114-117
Number of pages4
JournalIEEJ Transactions on Fundamentals and Materials
Volume123
Issue number2
DOIs
Publication statusPublished - 2003

Keywords

  • Tight-Binding approximation
  • accelerated quantum chemical molecular dynamics method
  • computational science

ASJC Scopus subject areas

  • Electrical and Electronic Engineering

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