Per-Olof Åstrand
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.
Publications
2025
-
Åstrand, Per-Olof;
Madshaven, Inge;
Dybdal, Ingrid.
(2025)
Local Electric Field Factors in Dielectric Liquids by a Combined Molecular Dynamics and Charge-Transfer Point-Dipole Interaction Model.
Norges teknisk-naturvitenskapelige universitet
Norges teknisk-naturvitenskapelige universitet
Masters thesis
Report
-
Åstrand, Per-Olof;
Madshaven, Inge;
Dybdal, Ingrid.
(2025)
Local Electric Field Factors in Dielectric Liquids by a Combined Molecular Dynamics and Charge-Transfer Point-Dipole Interaction Model.
Norges teknisk-naturvitenskapelige universitet
Norges teknisk-naturvitenskapelige universitet
Masters thesis