Mayr Felix

MA: Master Thesis, BA: Bachelor Thesis, DA: Diploma Thesis,
FP: Forschungspraxis, IP: Ingenieurpraxis

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Thaler, Stephan; Mayr, Felix; Thomas, Siby; Gagliardi, Alessio; Zavadlav, Julija: Active learning graph neural networks for partial charge prediction of metal-organic frameworks via dropout Monte Carlo. npj Computational Materials 10 (1), 2024 more… BibTeX Full text ( DOI )

Thomas, Siby; Mayr, Felix; Gagliardi, Alessio: Adsorption and sensing properties of SF6 decomposed gases on Mg-MOF-74. Solid State Communications 363, 2023, 115120 more… BibTeX Full text ( DOI )
Thomas, Siby; Mayr, Felix; Kulangara Madam, Ajith; Gagliardi, Alessio: Machine learning and DFT investigation of CO, CO<sub>2</sub> and CH<sub>4</sub> adsorption on pristine and defective two-dimensional magnesene. Physical Chemistry Chemical Physics 25 (18), 2023, 13170-13182 more… BibTeX Full text ( DOI )

F. Mayr, M. Harth, I. Kouroudis, M. Rinderle, A. Gagliardi: Machine Learning and Optoelectronic Materials Discovery: A Growing Synergy. The Journal of Physical Chemistry Letters 13 (8), 2022, 1940-1951 more… BibTeX Full text ( DOI )
S. Thaler, F. Mayr, S. Thomas, A. Gagliardi, J. Zavadlav: Partial Charge Assignment to Metal Organic Frameworks through Active Learning. e-conversion conference, 2022 more… BibTeX
S. Thaler, F. Mayr, S. Thomas, A. Gagliardi, J. Zavadlav: Partial Charge Assignment to Metal Organic Frameworks through Active Learning. ARTEMIS 1st Plenary meeting, 2022 more… BibTeX

Mayr, F.; Gagliardi, A.: Global property prediction: A benchmark study on open source, perovskite-like datasets. ACS Omega 6, 19, 12722–12732 2021-05, 2021 more… BibTeX Full text ( DOI )

Gagliardi, A.; Mayr, F.: Machine-learning Based Screening of Mixed Perovskites. Proceedings of Online Meetup: Methods to Analyze Stability of Perovskite-Type Absorbers and Solar Cells (StabPero) Online, Invited Speaker, Alessio Gagliardi, presentation 002 31.05.2020, nanoGE, 2020Online, Spain, June 2-3 2020-05 more… BibTeX
Gagliardi, A.; Schramm, L.; Mayr, F.: 11:40 - 11:55 1B-I2 Gagliardi, Alessio Technische Universitaet Muenchen Disentangling generative features for Machine Learning based screening of 2D-Perovskites. 1B I2 Session 1B Organizer 1B Computation of Halide Perovskites, 202008-09 Sept2020-09 more… BibTeX
Mayr, F.; Gagliardi, A.: Global property prediction: A benchmark study on open source, perovskite-like datasets. arXiv:2010.10174v1 [cond-mat.mtrl-sci] 20 Oct 2020-10, 2020, 1-26 more… BibTeX
Rueck, M.; Garlyyev, B.; Mayr, F.; Bandarenka, A.S.; Gagliardi, A.: Oxygen Reduction Activities of Strained Platinum Core-Shell Electrocatalysts Predicted by Machine Learning. J. Phys. Chem. Lett. 11, XXX, 1773-1780 2020-02, 2020, 1-25 more… BibTeX Full text ( DOI )

Stanley, J.C.; Mayr, F.; Gagliardi, A.: Machine Learning Stability and Bandgaps of Lead‐Free Perovskites for Photovoltaics. Adv. Theory Simul. 1900178 2019-11, 2019, 1-6 more… BibTeX Full text ( DOI )