Per-Olof Åstrand
Department of Chemistry, University of Copenhagen, Copenhagen, Denmark
Phone: +45 353 202 04, Fax: +45 353 202 59, E-mail: per-olof.aastrand@theory.ki.ku.dk
and
Materials Research Department, Risø National Laboratory, Roskilde,
Denmark
Phone: +45 4677 4712, Fax: +45 4677 4790, E-mail: per-olof.aastrand@risoe.dk
From June 1, 2002:
Department of Chemistry, Physical Chemistry, Norwegian University of
Science and Technology (NTNU), Trondheim, Norway
Email: aastrand@phys.chem.ntnu.no
Web
Molecular models
The aim is to understand and model properties of soft condensed matter
at a molecular level. The methods used and developed are based on quantum
chemistry and statistical mechanics. Previous and current projects deal
with
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Simplified models of optical properties of molecules and assemblies of
molecules.
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Quantum chemical calculations on chromophores in optical data storage materials.
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Development of force fields to be used in simulations of liquids and solutions.
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Vibrational motion in molecules and its effect on molecular properties.
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Solvent effects on molecular properties.
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Molecular dynamics simulations of liquids and solutions.
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Mesoscopic models of polymers.
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Monte Carlo simulations of neutron scattering instruments.
Curriculum Vitae - Publication
list
Last modified 21/March/2002