Photo of Casper Steinmann

Casper Steinmann

Theoretical and Computational Chemistry

  • Fredrik Bajers Vej 7, H, 1-306

    9220 Aalborg

    Denmark

20102019
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Projects 2017 2018

Research Output 2010 2019

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

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

embedding
Absorption spectra
solutes
excitons
absorption spectra

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

Kjellgren, E., Reinholdt, P., Steinmann, C. & Olsen, J. M. H., 19 Jun 2019, (In preparation) In : ChemRxiv (e-print).

Research output: Contribution to journalJournal articleResearchpeer-review

4 Citations (Scopus)

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

embedding
Molecules
environment effects
molecules
files
2 Citations (Scopus)
172 Downloads (Pure)

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
Solvation
Electronic structure
solvation
electronic structure
predictions
11 Citations (Scopus)
67 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

Research output: Contribution to journalJournal articleResearchpeer-review

Open Access
File
Free energy
Molecular dynamics
free energy
Ligands
molecular dynamics

Activities 2017 2019

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

Journal of Chemical Theory and Computation (Journal)

Casper Steinmann (Peer reviewer)
20 Aug 201931 Aug 2019

Activity: Editorial work and peer reviewPeer review of manuscriptsResearch