dr. J. Lahnsteiner (Jonathan)

Chemistry

# Methylammonium

Engineering & Materials Science

# Molecular Dynamics
# Molecules
# Perovskite

Physics & Astronomy

# Field Theory (Physics)
# Machine Learning
# Molecular Dynamics
# Perovskites

Faculty of Science and Technology (TNW), Computational Materials Science (CMS)

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

Courses in the current academic year are added at the moment they are finalised in the Osiris system. Therefore it is possible that the list is not yet complete for the whole academic year.