Personlig profil
CV
Dr. Scient, University of Copenhagen
Ph.D., Theoretical Chemistry, Aarhus University
Primære forskningsområder
We use scientific computing methods to investigate the dynamics and control of molecular perturbations, solvent effects, chemical reactions in homogeneous and heterogeneous environments. Presently, we target areas as biophotonics (design of optimal two-photon sensitizers), photonics (structure-property relationships for potential optical data and computer components), nanoscience (linear and nonlinear optical properties of carbon nanotubes), development of new models for homogeneous and heterogeneous solvation along with the calculation of linear and non-linear molecular properties of solutes and development of new models to describe interactions between nanosized particles and organic molecules along with the calculation of kinetic parameters used in macroscopic modelling in nanoscience and atmospheric chemistry.Aktuel forskning
We use scientific computing methods to investigate the dynamics and control of molecular perturbations, solvent effects, chemical reactions in homogeneous and heterogeneous environments. Presently, we target areas as biophotonics (design of optimal two-photon sensitizers), photonics (structure-property relationships for potential optical data and computer components), nanoscience (linear and nonlinear optical properties of carbon nanotubes), development of new models for homogeneous and heterogeneous solvation along with the calculation of linear and non-linear molecular properties of solutes and development of new models to describe interactions between nanosized particles and organic molecules along with the calculation of kinetic parameters used in macroscopic modelling in nanoscience and atmospheric chemistry.Undervisnings- og vejledningsområder
We use scientific computing methods to investigate the dynamics and control of molecular perturbations, solvent effects, chemical reactions in homogeneous and heterogeneous environments. Presently, we target areas as biophotonics (design of optimal two-photon sensitizers), photonics (structure-property relationships for potential optical data and computer components), nanoscience (linear and nonlinear optical properties of carbon nanotubes), development of new models for homogeneous and heterogeneous solvation along with the calculation of linear and non-linear molecular properties of solutes and development of new models to describe interactions between nanosized particles and organic molecules along with the calculation of kinetic parameters used in macroscopic modelling in nanoscience and atmospheric chemistry.Kommentarer til publikationsliste
In the period 2004-2009 published 66 articles out of a total of more than 200 reviewed articles along with 3 books on molecular dynamics and chemical kinetics and two popular reports on scientific computing. My first publication appeared in 1987, I have more than 4100 citations and my H-index is 34.
Samarbejde og topforskningsområder i de sidste fem år
Publikation
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[11]Cycloparaphenylene incorporating a redox-active dithiafulvene moiety provides access to a carbon nanohoop with an unpaired electron along the core
Pedersen, V. B. R., Woodcock, L. B., Dunweber, P. G. I. L., Mikkelsen, K. V., Jasti, R. & Nielsen, M. B., 2026, I: Chemical Communications. 62, 12, 5 s.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review
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Extended Tetrathiafulvalenes: Intramolecular Interactions Within 2,2′-Biphenyl-Bridged Fluorene-Dithiafulvenes
Krøll, P. L., Rask, L., Seljmani, F., Pedersen, V. B. R., Mikkelsen, K. V. & Nielsen, M. B., 2026, I: ChemPlusChem. 91, 1, 12 s., e202500705.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review
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Fluorination pattern–dependent control of electronic properties in Zn(II)-porphyrins: A combined experimental and theoretical investigation
Di Carlo, G., Minnucci, M., Pianta, E., Mikkelsen, K. V. & Tessore, F., 2026, (Accepteret/In press) I: Journal of Porphyrins and Phthalocyanines.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review
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Twisting Rhodamine─Design of Bright Dyes for Circularly Polarized Fluorescence
Nánási, D. E., Johansen, M. B., Mikkelsen, K. V. & Laursen, B. W., 2026, I: Journal of the American Chemical Society. 148, 15, s. 16290-16298 9 s.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review
1 Citationer (Scopus) -
An enhanced Coulomb blockade description of single-molecule junctions through complex polarizabilities
Jensen, M. D., Ekstrøm, E. T., Liasi, Z. & Mikkelsen, K. V., 2025, I: Chemical Physics Letters. 866, 5 s., 141958.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review
Åben adgangFil23 Downloads (Pure) -
Benchmarking third-order cluster perturbation theory for electronically excited states
Johansen, M. B., Corzo, H. H., Hillers-bendtsen, A. E., Mikkelsen, K. V. & Bykov, D., 2025, I: The Journal of Chemical Physics. 162, 9, 10 s., 094106.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review
Åben adgangFil1 Citationer (Scopus)16 Downloads (Pure) -
Chemical Rate Constant Using the GeneralizedLangevin Equation with Hydrodynamic and DielectricMemory in Relation to Molecular Solar ThermalEnergy Storage
Mikkelsen, K. V., 2025, I: Modern Concepts in Material Science. 7 s.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review
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Cluster perturbation theory. XI. Excitation-energy series using a variational excitation-energy function
Hillers-Bendtsen, A. E., Johansen, M. B., Juncker von Buchwald, T., Mikkelsen, K. V., Olsen, J., Jørgensen, P. & Helgaker, T., 2025, I: Journal of Chemical Physics. 162, 2, 23 s., 024114.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review
Åben adgangFil4 Citationer (Scopus)7 Downloads (Pure)