Voor een uitgebreider overzicht zie: www.dynamicsolids.net

Vastestof Fysica, Machine-Learning Krachtvelden, Elektronen Structuur Theorie, Computermateriaalkunde, Gemengde Hybride Perovskieten, Dynamische Vaste Stoffen, Fononen, Thermisch Geleidingsvermogen

2022 - nu  Universitair Docent, University of Twente (groep of Prof. C. Filippi)

2020 -2022 Universitair Docent, Universteit Twente (groep van Prof. P.J. Kelly)

2019-2020 Principal Investigator, Universteit Wenen (groep van Prof. G. Kresse)

2015-2019 University Assistant, Universteit Wenen (groep van Prof. G. Kresse)

2014-2015 Post-Doc, Universteit Wenen (groep van Prof. G. Kresse)

2009-2013 PhD, Universteit Twente (groep van Prof. P.J. Kelly)

Organisaties

Voor een uitgebreider overzicht zie: www.dynamicsolids.net

Vastestof Fysica, Machine-Learning Krachtvelden, Elektronen Structuur Theorie, Computermateriaalkunde, Gemengde Hybride Perovskieten, Dynamische Vaste Stoffen, Fononen, Thermisch Geleidingsvermogen

Publicaties

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

Overige bijdragen

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

Onderzoeksprofielen

Adres

Universiteit Twente

Carré (gebouwnr. 15), kamer C4049
Hallenweg 23
7522 NH Enschede

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