Theoretical atomic scale design

  1. 2013
  2. 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

  3. Published

    pH in atomic scale simulations of electrochemical interfaces. / Rossmeisl, Jan; Chan, Karen; Ahmed, Rizwan; Tripkovic, Vladimir; Björketun, Mårten E.

    In: Physical Chemistry Chemical Physics, Vol. 15, No. 25, 2013, p. 10321-10325.

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

  4. Published

    Phonon interference effects in molecular junctions. / Markussen, Troels.

    In: Journal of Chemical Physics, Vol. 139, No. 24, 2013, p. 244101.

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

  5. Published

    Plasmons in metallic monolayer and bilayer transition metal dichalcogenides. / Andersen, Kirsten; Thygesen, Kristian S.

    In: Physical Review B (Condensed Matter and Materials Physics), Vol. 88, No. 15, 2013, p. 155128.

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

  6. Published

    Quantitatively accurate calculations of conductance and thermopower of molecular junctions. / Markussen, Troels; Jin, Chengjun; Thygesen, Kristian Sommer.

    In: Physica Status Solidi. B: Basic Research, Vol. 250, No. 11, 2013, p. 2394-2402.

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

  7. Published
  8. Published

    Quasiparticle GW calculations within the GPAW electronic structure code. / Hüser, Falco; Thygesen, Kristian Sommer (Supervisor).

    Department of Physics, Technical University of Denmark, 2013. 140 p.

    Publication: ResearchPh.D. thesis – Annual report year: 2013

  9. Published
  10. Published

    SO2 - An indirect source of energy. / Kriek, R.J.; Van Ravenswaay, J.P.; Potgieter, M.; Calitz, A.; Lates, V.; Björketun, Mårten; Siahrostami, Samira; Rossmeisl, Jan.

    In: Southern African Institute of Mining and Metallurgy. Journal, Vol. 113, No. 8, 2013, p. 593-604.

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

  11. Published
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