Karsten Wedel Jacobsen

  1. 2014
  2. Published
  3. Published

    Assessing the reliability of calculated catalytic ammonia synthesis rates. / Medford, Andrew James; Wellendorff, Jess; Vojvodic, Aleksandra; Studt, Felix; Abild-Pedersen, Frank; Jacobsen, Karsten Wedel; Bligaard, Thomas ; Nørskov, Jens K.

    In: Science, Vol. 345, No. 6193, 2014, p. 197-200.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  4. Published

    Bandgap calculations and trends of organometal halide perovskites. / Castelli, Ivano Eligio; García Lastra, Juan Maria; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.

    In: A P L Materials, Vol. 2, No. 8, 2014, p. 081514-1 - 081514-7.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  5. Published

    Calculated Pourbaix Diagrams of Cubic Perovskites for Water Splitting: Stability Against Corrosion. / Castelli, Ivano Eligio; Thygesen, Kristian Sommer; Jacobsen, Karsten Wedel.

    In: Topics in Catalysis, Vol. 57, No. 1-4, 2014, p. 265-272.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  6. Published
  7. Published

    Development and testing of new exchange correlation functionals. / Lundgård, Keld Troen; Jacobsen, Karsten Wedel (Main supervisor); Thygesen, Kristian Sommer (Supervisor); Bligaard, Thomas (Supervisor).

    Department of Physics, Technical University of Denmark, 2014. 161 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2014

  8. Published
  9. Published
  10. Published

    mBEEF : An accurate semi-local Bayesian error estimation density functional. / Wellendorff, Jess; Lundgård, Keld Troen; Jacobsen, Karsten Wedel; Bligaard, Thomas .

    In: The Journal of Chemical Physics, Vol. 140, No. 14, 2014, p. 144107.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  11. Published

    New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations. / Castelli, Ivano Eligio; Hüser, Falco; Pandey, Mohnish; Li, Hong; Thygesen, Kristian Sommer; Seger, Brian; Jain, Anubhav; Persson, Kristin A.; Ceder, Gerbrand; Jacobsen, Karsten Wedel.

    In: Advanced Energy Materials, 2014, p. 1400915.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  12. Published

    Plasmons on the edge of MoS2 nanostructures. / Andersen, Kirsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 90, No. 16, 2014, p. 161410.

    Publication: Research - peer-reviewJournal article – Annual report year: 2014

  13. 2013
  14. Published
  15. Published

    Computational Approach to Electron Charge Transfer Reactions. / Jónsson, Elvar Örn; Jacobsen, Karsten Wedel (Main supervisor); Thygesen, Kristian Sommer (Supervisor); Ulstrup, Jens (Supervisor).

    Department of Physics, Technical University of Denmark, 2013. 241 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2014

  16. Published

    Computational Screening of Materials for Water Splitting Applications. / Castelli, Ivano Eligio; Jacobsen, Karsten Wedel (Main supervisor); Thygesen, Kristian Sommer (Supervisor).

    Kgs. Lyngby : Technical University of Denmark, 2013. 204 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2014

  17. Published

    Density functional theory studies of transition metal nanoparticles in catalysis. / Greeley, Jeffrey Philip; Rankin, Rees; Zeng, Zhenhua; Chun, Hee-Joon; Clayborne, Andre; Li, Lin; Abild-Pedersen, Frank; Nørskov, Jens Kehlet; Larsen, Ask Hjorth; Kleis, Jesper; Jacobsen, Karsten Wedel; Romero, Nichols.

    In: Abstracts of Papers of the American Chemical Society, Vol. 246, 2013, p. -.

    Publication: Research - peer-reviewConference abstract in journal – Annual report year: 2013

  18. Published
  19. Published
  20. Published

    Performance of genetic algorithms in search for water splitting perovskites. / Jain, A.; Castelli, Ivano Eligio; Hautier, G.; Bailey, D.H. ; Jacobsen, Karsten Wedel.

    In: Journal of Materials Science, Vol. 48, No. 19, 2013, p. 6519-6534.

    Publication: Research - peer-reviewJournal article – Annual report year: 2013

  21. Published
  22. 2012
  23. Published
  24. Published
  25. Published

    Construction of New Electronic Density Functionals with Error Estimation Through Fitting. / Petzold, V.; Bligaard, T.; Jacobsen, K. W.

    In: Topics in Catalysis, Vol. 55, No. 5-6, 2012, p. 402-417.

    Publication: Research - peer-reviewJournal article – Annual report year: 2012

  26. Published
  27. Published
  28. Published

    Inclusion of Dispersion Effects in Density Functional Theory : Development and Application. / Møgelhøj, Andreas; Jacobsen, Karsten Wedel (Main supervisor); Nørskov, Jens Kehlet (Supervisor).

    Kgs. Lyngby : Technical University of Denmark, 2012. 207 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2012

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