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kMap.py: A Python program for simulation and data analysis in photoemission tomography2021 Computer Physics Communications article Materials Science Electron and X-Ray Spectroscopy Techniques Open access
Dominik Brandstetter, Xiaosheng Yang, Daniel Lüftner, Frank Stefan Tautz, Peter Puschnig
1citations -
Photocontrollable Modulation of Frontier Molecular Orbital Energy Levels of Cyclopentenone-Based Diarylethenes2021 The Journal of Physical Chemistry A article Materials Science Photochromic and Fluorescence Chemistry
Andrey G. Lvov, Martin Herder, Lutz Grubert, Stefan Hecht, Валерий З. Ширинян
5citations -
Quick and robust PDF data acquisition using a laboratory single-crystal X-ray diffractometer for study of polynuclear lanthanide complexes in solid form and in solution2022 Journal of Applied Crystallography article Materials Science X-ray Diffraction in Crystallography
Dmitry M. Tsymbarenko, Dimitry Grebenyuk, М. А. Бурлакова, Mirijam Zobel
32citations -
Identification of Molecular Biomarkers of Diffuse Large B-Cell Lymphoma Through Gold Nanoparticle-Based Surface-Enhanced Raman Spectroscopy (SERS) Coupled with Multivariate Analysis2026 Analytical Letters article Materials Science Gold and Silver Nanoparticles Synthesis and Applications
Rifsha Rabbani, Adeela Ismail, Haq Nawaz, Muhammad Irfan Majeed, Nosheen Rashid, Najah Alwadie, +7 more
2citations -
The usefulness of molecular-dynamics simulations in clarifying the activation enthalpy of oxygen-vacancy migration in the perovskite oxide BaTiO 32020 Physical Chemistry Chemical Physics article Materials Science Ferroelectric and Piezoelectric Materials
Johannes Kaub, Joe Kler, Stephen C. Parker, Roger A. De Souza
24citations -
The Sluggish Diffusion of Cations in CeO2 Probed through Molecular Dynamics and Metadynamics Simulations2023 Advanced Engineering Materials article Materials Science Advancements in Solid Oxide Fuel Cells Open access
S. Körfer, Alexander Bonkowski, Joe Kler, P. D. Hatton, Blas Pedro Uberuaga, Roger A. De Souza
7citations -
Structural characterization of supramolecular hollow nanotubes with atomistic simulations and SAXS2020 Physical Chemistry Chemical Physics article Materials Science Supramolecular Self-Assembly in Materials Open access
Ilias Patmanidis, Alex H. de Vries, Tsjerk A. Wassenaar, Wenjun Wang, Giuseppe Portale, Siewert J. Marrink
22citations -
Application of artificial neural networks for the prediction of interface mechanics: a study on grain boundary constitutive behavior2020 Advanced Modeling and Simulation in Engineering Sciences article Materials Science Microstructure and mechanical properties Open access
Mauricio Fernández, Shahed Rezaei, Jaber Rezaei Mianroodi, Felix Fritzen, Stefanie Reese
74citations -
Investigation of the degradation behaviour of poly-L-lactic acid braided stents under real-time and accelerated conditions2024 Polymer Testing article Materials Science biodegradable polymer synthesis and properties Open access
Agnese Lucchetti, Flavia Caronna, Lison Rocher, Karl Joyce, Martin Fawdry, Olena Kudina, +3 more
9citations