Multi-scale simulations for materials and life sciences

Frédéric Castet, Benoît Champagne, Masayoshi Nakano, Hideaki Takahashi

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Molecular modeling is playing an increasing role in materials and life sciences. The "multi-scale simulations for materials and life sciences" symposium will review recent method developments and their applications ranging from small building blocks to large supramolecular assemblies, biomacromolecules and nanomaterials. It will cover reactivity aspects in these systems, as well as theoretical characterizations of their many optical, electronic, and magnetic properties. After a brief general introduction, we illustrate in this paper some aspects of the research in this broad field by giving examples of our recent achievements within the three main topics tackled during the symposium, i.e. the simulation of nonlinear optical properties of molecules and molecular aggregates, the charge and energy transfer properties in materials, as well as quantum chemical simulations in biological media.

Original languageEnglish
Title of host publicationComputation in Modern Science and Engineering - Proceedings of the International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)
PublisherAmerican Institute of Physics Inc.
Pages285-286
Number of pages2
Edition2
ISBN (Print)9780735404786
DOIs
Publication statusPublished - 2007 Jan 1
Externally publishedYes
EventInternational Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007 - Corfu, Greece
Duration: 2007 Sep 252007 Sep 30

Publication series

NameAIP Conference Proceedings
Number2
Volume963
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Other

OtherInternational Conference on Computational Methods in Science and Engineering 2007, ICCMSE 2007
CountryGreece
CityCorfu
Period07/9/2507/9/30

ASJC Scopus subject areas

  • Ecology, Evolution, Behavior and Systematics
  • Ecology
  • Plant Science
  • Physics and Astronomy(all)
  • Nature and Landscape Conservation

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