Casper Steinmann

Theoretical and Computational Chemistry

  • Fredrik Bajers Vej 7, H, Gærdesangervej 8

    9220 Aalborg

    Denmark

20102020

Research output per year

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Projects

Research Output

  • 24 Journal article
  • 1 Book chapter
  • 1 Review article

Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments

Reinholdt, P., Kjellgren, E., Steinmann, C. & Olsen, J. M. H., 8 Jan 2020, In : Journal of Chemical Theory and Computation. 16, 2, p. 1162-1174 13 p.

Research output: Contribution to journalJournal articleResearchpeer-review

  • Combining Polarizable Embedding with the Frenkel exciton model: Applications to absorption spectra with overlapping solute-solvent bands

    Stendevad, J., Kongsted, J. & Svendsen, C. S., 13 Mar 2019, In : Theoretical Chemistry Accounts. 138, 3, 41.

    Research output: Contribution to journalJournal articleResearchpeer-review

  • Response properties of embedded molecules through the polarizable embedding model

    Svendsen, C. S., Reinholdt, P., Nørby, M. S., Kongsted, J. & Olsen, J. M. H., 5 Jan 2019, In : International Journal of Quantum Chemistry. 119, 1, e25717.

    Research output: Contribution to journalReview articleResearchpeer-review

  • 6 Citations (Scopus)

    Improving Solvation Energy Predictions Using The SMD Solvation Method and Semiempirical Electronic Structure Methods

    Kromann, J. C., Svendsen, C. S. & Jensen, J. H., 11 Sep 2018, In : Journal of Chemical Physics. 149, 10, 104102 .

    Research output: Contribution to journalJournal articleResearchpeer-review

    Open Access
    File
  • 6 Citations (Scopus)
    256 Downloads (Pure)

    Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations

    Svendsen, C. S., Olsson, M. & Ryde, U., 17 May 2018, In : Journal of Chemical Theory and Computation. 14, 6, p. 3228–3237 10 p.

    Research output: Contribution to journalJournal articleResearchpeer-review

    Open Access
    File
  • 15 Citations (Scopus)
    147 Downloads (Pure)

    Activities

    Specialecensor

    Casper Steinmann (External examiner)

    6 Dec 2019

    Activity: ExaminationExternal examination

    Teoretisk Sektion ved Kemisk Forening (External organisation)

    Casper Steinmann (Chairman)

    24 Oct 2019

    Activity: MembershipsBoard duties in companies, associations, or public organisations

    Journal of Chemical Theory and Computation (Journal)

    Casper Steinmann (Peer reviewer)

    1 Sep 201910 Sep 2019

    Activity: Editorial work and peer reviewPeer review of manuscriptsResearch

    Institut for Kemi og Biovidenskabs sommerseminar

    Casper Steinmann (Organizer)

    22 Aug 201923 Aug 2019

    Activity: Attending an eventOrganisation or participation in workshops, courses, or seminars

    Projekteksamen

    Casper Steinmann (External examiner)

    21 Aug 2019

    Activity: ExaminationInternal examination