dr. J. Lahnsteiner (Jonathan)

Bokdam, M. , Lahnsteiner, J., & Sarma, D. D. (2021). Exploring Librational Pathways with on-the-Fly Machine-Learning Force Fields: Methylammonium Molecules in MAPbX₃(X = I, Br, Cl) Perovskites. Journal of physical chemistry C, 125(38), 21077-21086. https://doi.org/10.1021/acs.jpcc.1c06835

Jinnouchi, R. , Lahnsteiner, J., Karsai, F., Kresse, G. , & Bokdam, M. (2019). Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference. Physical review letters, 122(22), [225701]. https://doi.org/10.1103/PhysRevLett.122.225701

Lahnsteiner, J., Jinnouchi, R. , & Bokdam, M. (2019). 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(9), [094106]. https://doi.org/10.1103/PhysRevB.100.094106

Lahnsteiner, J., Kresse, G., Heinen, J. , & Bokdam, M. (2018). Finite-temperature structure of the MAPbI3 perovskite: Comparing density functional approximations and force fields to experiment. Physical Review Materials , 2(7), [073604]. https://doi.org/10.1103/PhysRevMaterials.2.073604

Govinda, S., Kore, B. P. , Bokdam, M., Mahale, P., Kumar, A., Pal, S., Bhattacharyya, B. , Lahnsteiner, J., Kresse, G., Franchini, C., Pandey, A., & Sarma, D. D. (2017). Behavior of Methylammonium Dipoles in MAPbX₃ (X = Br and I). Journal of physical chemistry letters, 8(17), 4113-4121. https://doi.org/10.1021/acs.jpclett.7b01740

Bokdam, M. , Lahnsteiner, J., Ramberger, B., Schäfer, T., & Kresse, G. (2017). Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites. Physical review letters, 119(14), [145501]. https://doi.org/10.1103/PhysRevLett.119.145501