Expertise
Chemistry
# Methylammonium
Engineering & Materials Science
# Molecular Dynamics
# Molecules
# Perovskite
Physics & Astronomy
# Field Theory (Physics)
# Machine Learning
# Molecular Dynamics
# Perovskites
Organisations
Publications
Recent
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 Academic Year 2021/2022
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.
Courses Academic Year 2020/2021
Contact Details
Visiting Address
University of Twente
Faculty of Science and Technology
Carré
(building no. 15)
Hallenweg 23
7522NH Enschede
The Netherlands
Mailing Address
University of Twente
Faculty of Science and Technology
Carré
P.O. Box 217
7500 AE Enschede
The Netherlands