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kMap.py: A Python program for simulation and data analysis in photoemission tomography2020 arXiv (Cornell University) preprint Materials Science Electron and X-Ray Spectroscopy Techniques Open access
Dominik Brandstetter, Xiaosheng Yang, Daniel Lüftner, Frank Stefan Tautz, Peter Puschnig
23citations -
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 -
Structural insights into the effects of glycerol on ligand binding to cytochrome P4502022 Acta Crystallographica Section D Structural Biology article Materials Science Enzyme Structure and Function
Sergey S. Bukhdruker, Tatsiana Varaksa, Philipp S. Orekhov, Irina P. Grabovec, Egor Marin, Ivan Kapranov, +10 more
4citations -
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 -
Accurate prediction of structural and mechanical properties on amorphous materials enabled through machine-learning potentials: a case study of silicon nitride2024 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access
Ganesh Kumar Nayak, Prashanth Srinivasan, Juraj Todt, Rostislav Daniel, Paolo Nicolini, David Holec
1citations -
Evolution of Short‐Range Order of Amorphous GeTe Upon Structural Relaxation Obtained by TEM Diffractometry and RMC Methods2023 Advanced Science article Materials Science Phase-change materials and chalcogenides Open access
Julian Pries, Todd Wesley Surta, Michael W. Gaultois, Matthias Wuttig
7citations -
Data set for phase-field simulation of epitaxial crystal growth in open fractures with lateral flow2023 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Solidification and crystal growth phenomena Open access
Michael Späth, Michael A. Selzer, Benjamin Busch, Daniel Schneider, Christoph Hilgers, Janos Lajos Urai, +1 more
1citations -
Data set for phase-field simulation of epitaxial crystal growth in open fractures with lateral flow2023 Zenodo (CERN European Organization for Nuclear Research) dataset Materials Science Solidification and crystal growth phenomena Open access
Michael Späth, Michael A. Selzer, Benjamin Busch, Daniel Schneider, Christoph Hilgers, Janos Lajos Urai, +1 more
0citations -
Angular-dependent interatomic potential for large-scale simulation of bcc and hcp multi-component refractory alloys2025 Computational Materials Science article Materials Science Fusion materials and technologies Open access
Sergey Starikov, Petr Grigorev, Sang-Hyeok Lee, Zhuocheng Xie, Pär A.T. Olsson
5citations -
Multi-scale simulation of hybrid light metal structures produced by high pressure die casting2020 IOP Conference Series Materials Science and Engineering conference-paper Materials Science Solidification and crystal growth phenomena Open access
Juergen Jakumeit, Herfried Behnken, R Laqua, Janin Eiken, Johannes Brachmann
5citations -
Following the formation of single-chain nanoparticles generated by interblock crosslinking within diblock copolymers: a Monte Carlo simulation study with adjustable interaction strength between the blocks
Anja Voigt, Christian Strauch, Tom Höfken, Mirco Wahab, Wiebke Hadwich, Christopher Barner‐Kowollik, +3 more
0citations -
Grain boundary segregation spectrum in basal-textured Mg alloys: From solute decoration to structural transition2024 Acta Materialia article Materials Science Magnesium Alloys: Properties and Applications Open access
Anumoy Ganguly, Hexin Wang, Julien Guénolé, Aruna Prakash, Sandra Korte‐Kerzel, Talal Al‐Samman, +1 more
26citations -
Defects in magnesium and its alloys by atomistic simulation: Assessment of semi-empirical potentials2024 Computational Materials Science article Materials Science Magnesium Alloys: Properties and Applications Open access
Hexin Wang, Julien Guénolé, Sandra Korte‐Kerzel, Talal Al‐Samman, Zhuocheng Xie
11citations