Theoretical Atomic-scale Physics

  1. 2017
  2. Published

    Addressing uncertainty in atomistic machine learning. / Peterson, Andrew A. ; Christensen, Rune; Khorshidi, Alireza .

    In: Physical Chemistry Chemical Physics, Vol. 2017, No. 18, 2017, p. 10978-10985.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  3. Published

    A Strategy to Suppress Phonon Transport in Molecular Junctions Using pi-Stacked Systems. / Li, Qian; Strange, Mikkel; Duchemin, Ivan; Donadio, Davide; Solomon, Gemma C.

    In: Journal of Physical Chemistry C, Vol. 121, No. 13, 2017, p. 7175-7182.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  4. Published

    Band structure engineered layered metals for low-loss plasmonics. / Gjerding, Morten Niklas; Pandey, Mohnish; Thygesen, Kristian Sommer.

    In: Nature Communications, Vol. 8, 2017.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  5. Published

    Band structure engineering in van der Waals heterostructures via dielectric screening: the GΔW method. / Winther, Kirsten Trøstrup; Thygesen, Kristian Sommer.

    In: 2D materials, Vol. 4, No. 2, 025059 , 2017.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  6. Published

    Calculating excitons, plasmons, and quasiparticles in 2D materials and van der Waals heterostructures : Topical Review. / Thygesen, Kristian Sommer.

    In: 2D materials, Vol. 4, No. 2, 022004, 2017.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  7. Published
  8. Published

    Dynamic breaking of a single gold bond. / Pobelov, Ilya V.; Lauritzen, Kasper Primdal; Yoshida, Koji; Jensen, Anders; Meszaros, Gabor; Jacobsen, Karsten Wedel; Strange, Mikkel; Wandlowski, Thomas; Solomon, Gemma C.

    In: Nature Communications, Vol. 8, 2017, p. 15931.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  9. Published

    Fe-Ni Nanoparticles: A Multiscale First-Principles Study to Predict Geometry, Structure, and Catalytic Activity. / Teeriniemi, Juhani ; Melander, Marko; Lipasti, Saana ; Hatz, Richard ; Laasonen, Kari .

    In: The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, Vol. 121, No. 3, 2017, p. 1667-1674.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  10. Published

    Highly Anisotropic in-Plane Excitons in Atomically Thin and Bulklike 1T '-ReSe2. / Arora, Ashish; Noky, Jonathan; Drueppel, Matthias; Jariwala, Bhakti; Deilmann, Thorsten; Schneider, Robert; Schmidt, Robert D. ; Del Pozo-Zamudio, Osvaldo; Stiehm, Torsten; Bhattacharya, Arnab; Krueger, Peter; de Vasconcellos, Steffen Michaelis; Rohlfing, Michael; Bratschitsch, Rudolf.

    In: Nano Letters, Vol. 17, No. 5, 2017, p. 3202-3207.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

  11. Published

    Interlayer Excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures. / Latini, Simone; Winther, Kirsten Trøstrup; Olsen, Thomas; Thygesen, Kristian Sommer.

    In: Nano Letters, Vol. 17, No. 2, 2017, p. 938-945.

    Publication: Research - peer-reviewJournal article – Annual report year: 2017

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