Dr.ir. M. Bokdam | People Pages: Find employees & contact details

For a more complete overview see: www.dynamicsolids.net

Condensed Matter Physics, Machine-Learning Force Fields, Electronic Structure, Computational Materials Science, Mixed Hybrid Perovskites, Dynamic Solids, Phonons, Thermalconductivity

2022 - now Assistant Professor, University of Twente (group of Prof. C. Filippi)

2020 -2022 Assistant Professor, University of Twente (group of Prof. P.J. Kelly)

2019-2020 Principal Investigator, University of Vienna (group of Prof. G. Kresse)

2015-2019 University Assistant, University of Vienna (group of Prof. G. Kresse)

2014-2015 Post-Doc, University of Vienna (group of Prof. G. Kresse)

2009-2013 PhD, University of Twente (group of Prof. P.J. Kelly)

Organisations

For a more complete overview see: www.dynamicsolids.net

Condensed Matter Physics, Machine-Learning Force Fields, Electronic Structure, Computational Materials Science, Mixed Hybrid Perovskites, Dynamic Solids, Phonons, Thermalconductivity

Publications

2024

Tuning Einstein Oscillator Frequencies of Cation Rattlers: A Molecular Dynamics Study of the Lattice Thermal Conductivity of CsPbBr₃ (2024)The Journal of physical chemistry C, 128(3), 1341-1349. Lahnsteiner, J., Rang, M. & Bokdam, M.https://doi.org/10.1021/acs.jpcc.3c06590

2023

CsPbBr_3 database for force field training underlying the publication: Tuning Einstein Oscillator Frequencies of Cation Rattlers: A Molecular Dynamics Study of the Lattice Thermal Conductivity of CsPbBr3 (2023)[Dataset Types › Dataset]. 4TU.Centre for Research Data. Bokdam, M., Lahnsteiner, J. & Rang, M.https://doi.org/10.4121/02c647b6-c6cb-4e45-b7d5-287853152c47LaMnO3, SrRuO3 database for force field training underlying the publication: Phase transitions of LaMnO3 and SrRuO3 from DFT+U based machine learning force fields simulations (2023)[Dataset Types › Dataset]. 4TU.Centre for Research Data. Jansen, T. & Bokdam, M.https://doi.org/10.4121/428049a0-cb40-43d4-bf58-4276ede13402Phase transitions of LaMnO3 and SrRuO3 from DFT + U based machine learning force fields simulations (2023)Physical review B: Covering condensed matter and materials physics, 108(23). Article 235122. Jansen, T., Brocks, G. & Bokdam, M.https://doi.org/10.1103/PhysRevB.108.235122Phase transitions of LaMnO3 and SrRuO3 from DFT+U based machine learning force fields simulations (2023)Physical review B: Covering condensed matter and materials physics. Jansen, T., Brocks, G. & Bokdam, M.https://doi.org/10.1103/PhysRevB.108.235122Phase transitions of LaMnO3 and SrRuO3 from DFT+U based machine learning force fields simulations (2023)Physical review B: Covering condensed matter and materials physics, 108(23). Article 235122. Jansen, T., Brocks, G. & Bokdam, M.https://doi.org/10.1103/PhysRevB.108.235122Impact of Water on Structure Stabilization in Layered Manganese-Oxide for High-Voltage Zinc Storage in Non-Aqueous Electrolyte: Experimental and Theoretical Aspects (2023)Energy Storage Materials, 63. Article 103028. Kim, H. J., Ahn, J., Voronina, N., Yaqoob, N., Bokdam, M., Jeong, J., Park, J. H., Chung, K. Y., Kaghazchi, P. & Myung, S.-T.https://doi.org/10.1016/j.ensm.2023.103028Infrared emissivity of thin films based on molybdenum silicides with silicon (2023)[Contribution to conference › Poster] MESA+ Meeting 2023. Baskakov, A., Golsanamlou, Z., van de Kruijs, R. W. E., Bokdam, M., Sturm, J. M. & Ackermann, M.Mixed MAPbI_(3-x)Br_x database for force field training (2023)[Dataset Types › Dataset]. 4TU.Centre for Research Data. Bokdam, M.https://doi.org/10.4121/21878661FPdataViewer (2023)[Non-textual form › Software]. Bokdam, M., Kuipers, T. & Shinde, R. L.https://github.com/dynamicsolids/FPdataViewer

Other contributions

Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference

Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai, Georg Kresse, and Menno Bokdam

Phys. Rev. Lett. 122, 225701 – Published 7 June 2019

Long-range order imposed by short-range interactions in methylammonium-lead iodide MAPbI₃: Comparing point-dipole models to machine-learning force fields

Lahnsteiner J., Jinnouchi R., Bokdam M.

Phys. Rev. B. 100, 094106, DOI: 10.1103/PhysRevB.100.094106

The Finite Temperature Structure of the MAPbI₃ Perovskite: Comparing density functional approximations and force fields to experiment

Lahnsteiner J., Kresse G., Heijnen J., Bokdam M.

Phys. Rev. Mat., 2, 073604 (2018) DOI: 10.1103/PhysRevMaterials.2.073604

Assessing density functionals using many body theory for hybrid perovskites

Bokdam M., Lahnsteiner J., Ramberger B., Schäfer T., Kresse G.

Physical Review Letters, 119, 145501, (2017), DOI: 10.1103/PhysRevLett.119.145501

Behavior of Methylammonium Dipoles in MAPbX(3) (X = Br and I)

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.

Journal of Physical Chemistry Letters, 8, 4113-4121 (2017) DOI: 10.1021/acs.jpclett.7b01740

Research profiles

Students interested in combining machine-learning methods with solid-state physics are welcome to contact me for bachelor and master assignments.

Affiliated study programs

Courses academic year 2024/2025

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 2023/2024

Address

University of Twente

Carré (building no. 15), room C4049
Hallenweg 23
7522 NH Enschede
Netherlands

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