Research output

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  1. 2021
  2. Published

    Coherent Transport from Molecular Dynamics

    Spitaler, T., Bedoya-Martínez, N., Romaner, L. & Hammer, R., Sept 2021.

    Research output: Contribution to conference › Poster › Research

  3. Published

    Ab initio investigation of the atomic volume, thermal expansion, and formation energy of WTi solid solutions

    Bodlos, R., Dengg, T., Ruban, A. V., Dehghani, M., Romaner, L. & Spitaler, J., Apr 2021, In: Physical review materials . 5, 4, p. 1-10 043601.

    Research output: Contribution to journal › Article › Research › peer-review

  4. Published

    Hydrogen segregation near a crack tip in nickel

    Drexler, A., He, S., Pippan, R., Romaner, L., Razumovskiy, V. I. & Ecker, W., 15 Mar 2021, In: Scripta materialia. 194.2021, 15 March, 5 p., 113697.

    Research output: Contribution to journal › Article › Research › peer-review

  5. Published

    An understanding of hydrogen embrittlement in nickel grain boundaries from first principles

    Mai, H. L., Cui, X-Y., Scheiber, D., Romaner, L. & Ringer, S. P., 2021, In: Materials and Design. 2021, 212, p. 1-16

    Research output: Contribution to journal › Article › Research › peer-review

  6. Published

    Bayesian optimization of hubbard u’s for investigating InGaN superlattices

    Popov, M., Spitaler, J., Romaner, L., Bedoya-Martínez, N. & Hammer, R., 2021, In: Electronic materials. 2021, 2, p. 370-381

    Research output: Contribution to journal › Article › Research › peer-review

  7. Published

    CALPHAD assessment of the Ti-W system including experimental and ab-initio data

    Spitaler, T. & Romaner, L., 2021.

    Research output: Contribution to conference › Poster › Research

  8. 2020
  9. E-pub ahead of print

    The influence of alloying on Zn liquid metal embrittlement in steels

    Scheiber, D., Prabitz, K. M., Romaner, L. & Ecker, W., 9 Jun 2020, (E-pub ahead of print) In: Acta Materialia. 195.2020, 15 August, p. 750-760 11 p.

    Research output: Contribution to journal › Article › Research › peer-review

  10. Published

    Ab-initio based modelling of hydrogen embrittlement in steel.

    Kholtobina, A., 2020

    Research output: Thesis › Doctoral Thesis

  11. 2018
  12. Published

    Atomistic investigations on the role of dislocations and interfaces for the mechanical and physical properties of metallic alloys and inorganic-organic heterostructures

    Romaner, L., 2018

    Research output: Thesis › Habilitation thesis › peer-review

  13. 2011
  14. Published

    A Momentum Space View of the Surface Chemical Bond

    Berkebile, S., Ules, T., Puschnig, P., Romaner, L., Koller, G., Fleming, A., Emtsev, K., Seyller, T., Draxl, C., Netzer, F. & Ramsey, M., 2011, In: Physical chemistry, chemical physics : PCCP. 13, p. 3604-3611

    Research output: Contribution to journal › Article › Research › peer-review

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