Per-Olof Åstrand
Om
Molecular modeling
Research
My research is focused on theoretical models for molecular properties, intermolecular interactions and molecular models of condensed matter.
Selected recent activity:
- Electrical insulation - electronic processes in high electric fields
- POÅ, Analytical model for the molecular ionization energy in an external electric field, J. Phys. Chem. Lett. 15, 6146-6150, 2024.
- Lattice models in molecular thermodynamics
- POÅ, The quantum-volume and Bragg-Williams equations of state, ChemRxiv, 2026.
- 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.
Publikasjoner
2026
-
Zhang, Jingwen;
Hao, Jian;
Åstrand, Per-Olof;
Li, Hongwei;
Liao, Ruijin.
(2026)
Quantitative Structure–Property Relationship for High Flash Point of Ester Oil Molecules and Its Experimental Verification.
High Voltage
Vitenskapelig artikkel
Tidsskriftspublikasjoner
-
Zhang, Jingwen;
Hao, Jian;
Åstrand, Per-Olof;
Li, Hongwei;
Liao, Ruijin.
(2026)
Quantitative Structure–Property Relationship for High Flash Point of Ester Oil Molecules and Its Experimental Verification.
High Voltage
Vitenskapelig artikkel