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  1. Employees

Språkvelger

Norsk

Per-Olof Åstrand

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Per-Olof Åstrand

Professor
Department of Chemistry

per-olof.aastrand@ntnu.no
Realfagbygget, D3-119, Gløshaugen
Google Scholar ResearcherID ORCiD
About

About

Molecular modeling

Research

My research is focused on theoretical models for molecular properties, intermolecular interactions and molecular models of condensed matter.

Selected recent activity:

  • POÅ, Analytical model for the molecular ionization energy in an external electric field, J. Phys. Chem. Lett. 15, 6146-6150, 2024.
  • POÅ and R. de Miguel, Lattice models in molecular thermodynamics: Merging the configurational and translational entropies, J. Phys. Chem. B 128 12752-12759, 2024.

Full list of publications (with links).

Teaching

I teach the following courses:

  • TKJ4215 Statistical Thermodynamics in Chemistry and Biology (B.Sc. level).
  • TKJ4205/KJ8902 Molecular Modeling (M.Sc./Ph.D. level).
  • KJ8205 Advanced Molecular Modeling (Ph.D. level).

Parts of the courses are based on my book: P.-O. Åstrand, Atomistic Modeling: Concepts in Computational Chemistry, Bookboon.com, 2016. It can downloaded for free as a pdf file.

A list of potential projects for project and M.Sc. students.

Other publications:

  • Kjemi, 2017/3, Open access to scientific papers and academic textbooks.
  • Kjemi, 2020/2, Teaching basic classical thermodynamics through statistical thermodynamics – thermodynamics kept simple.

Competencies

  • Chemical modelling
  • Molecular dynamics
  • Molecular modelling
  • Molecular properties
  • Quantum chemistry

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