Dynamics in perovskite photovoltaics

Menno Bokdam
University of Vienna (Universität Wien)
Computergestützte Materialphysik, University of Vienna

VSC project / type: 71059 / funded

VSC-3 / status: 2017-09-20 - 2020-09-21 / active


  • Lahnsteiner Jonathan, Jinnouchi Ryosuke, Bokdam Menno
    Long-range order imposed by short-range interactions in methylammonium lead iodide: Comparing point-dipole models to machine-learning force fields
    PHYSICAL REVIEW B 100, 094106 (2019)

  • Jinnouchi Ryosuke, Lahnsteiner Jonathan, Karsai Ferenc, Kresse Georg, Bokdam Menno
    Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference
    PHYSICAL REVIEW LETTERS 122, UNSP 225701 (2019)

  • Lahnsteiner Jonathan, Kresse Georg, Heinen Jurn, Bokdam Menno
    Finite-temperature structure of the MAPbI(3) perovskite: Comparing density functional approximations and force fields to experiment
    PHYSICAL REVIEW MATERIALS 2, 073604 (2018)

  • Bokdam Menno, Lahnsteiner Jonathan, Ramberger Benjamin, Schaefer Tobias, Kresse Georg
    Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites
    PHYSICAL REVIEW LETTERS 119, 145501 (2017)

[<- Back to: Publications overview]