Publications by MPCDF

Rao, Z.; Li, Y.; Zhang, H.; Colnaghi, T.; Marek, A.; Rampp, M.; Gault, B.: Direct recognition of crystal structures via three-dimensional convolutional neural networks with high accuracy and tolerance to random displacements and missing atoms. Scripta Materialia 234, 115542 (2023)

Schild, N.; Räth, M.; Eibl, S.; Hallatschek, K.; Kormann, K.: A performance portable implementation of the semi-Lagrangian algorithm in six dimensions. Computer Physics Communications 295, 108973 (2023)

Muñoz, P. A.; Jain, N.; Farzalipour Tabriz, M.; Rampp, M.; Büchner, J.: Electron inertia effects in 3D hybrid-kinetic collisionless plasma turbulence. Physics of Plasmas 30, 092302 (2023)

Vance, J.; Xu, Z.-H.; Tretyakov, N.; Stuehn, T.; Rampp, M.; Eibl, S.; Junghans, C.; Brinkmann, A.: Code modernization strategies for short-range non-bonded molecular dynamics simulations. Computer Physics Communications 290, 108760 (2023)

Lu, H.; Koknat, G.; Yao, Y.; Hao, J.; Qin, X.; Xiao, C.; Song, R.; Merz, F.; Rampp, M.; Kokott, S. et al.; Carbogno, C.; Li, T.; Teeter, G.; Scheffler, M.; Berry, J. J.; Mitzi, D. B.; Blackburn, J. L.; Blum, V.; Beard, M. C.: Electronic impurity doping of a 2D hybrid lead iodide perovskite by Bi and Sn. PRX Energy 2 (2), 023010 (2023)

Meyer, D. M.-A.; Pohl, M.; Petrov, M.; Egberts, K.: Mixing of materials in magnetized core-collapse supernova remnants. Monthly Notices of the Royal Astronomical Society 521 (4), pp. 5354 - 5371 (2023)

Weiland, M.; Bilato, R.; Sieglin, B.; Felici, F.; Giannone, L.; Kudlacek, O.; Rampp, M.; Scheffer, M.; Treutterer, W.; Zehetbauer, T. et al.; the ASDEX Upgrade Team; the EUROfusion MST Team: Real-time implementation of the high-fidelity NBI code RABBIT into the discharge control system of ASDEX Upgrade. Nuclear Fusion 63 (6), 066013 (2023)

Mou, T.; Gupta, V. K.; Farzalipour Tabriz, M.; Frauenheim, T.; Deák, P.: Size of electron polarons in anatase TiO₂ and their role in photocatalysis. Physical Review B 107 (23), 155127 (2023)

Morán-Fraile, J.; Schneider, F. R. N.; Röpke, F. K.; Ohlmann, S. T.; Pakmor, R.; Soultanis, T.; Bauswein, A.: Gravitational wave emission from dynamical stellar interactions. Astronomy and Astrophysics 672, A9 (2023)

Dharmawardena, T. E.; Bailer-Jones, C. A. L.; Fouesneau, M.; Foreman-Mackey, D.; Coronica, P.; Colnaghi, T.; Müller, T.; Henshaw, J.: The three-dimensional structure of galactic molecular cloud complexes out to 2.5 kpc. Monthly Notices of the Royal Astronomical Society 519 (1), pp. 228 - 247 (2023)

Moreno, M. M.; Schneider, F. R. N.; Röpke, F. K.; Ohlmann, S. T.; Pakmor, R.; Podsiadlowski, P.; Sand, C.: From 3D hydrodynamic simulations of common-envelope interaction to gravitational-wave mergers. Astronomy and Astrophysics 667, A72 (2022)

Siggel, M.; Kehl, S.; Reuter, K.; Köfinger, J.; Hummer, G.: TriMem: A parallelized hybrid Monte Carlo software for efficient simulations of lipid membranes. The Journal of Chemical Physics 157 (17), 174801 (2022)

Lalescu, C. C.; Bramas, B.; Rampp, M.; Wilczek, M.: An efficient particle tracking algorithm for large-scale parallel pseudo-spectral simulations of turbulence. Computer Physics Communications 278, 108406 (2022)

Arguedas-Leiva, J.-A.; Słomka, J.; Lalescu, C. C.; Stocker, R.; Wilczek, M.: Elongation enhances encounter rates between phytoplankton in turbulence. Proceedings of the National Academy of Sciences of the United States of America 119 (32), e2203191119 (2022)

Meyer, D. M.-A.; Velázquez, P. F.; Petruk, O.; Chiotellis, A.; Pohl, M.; Camps-Fariña, A.; Petrov, M.; Reynoso, E. M.; Toledo-Roy, J. C.; Schneiter, E. M. et al.; Castellanos-Ramírez, A.; Esquivel, A.: Rectangular core-collapse supernova remnants: application to Puppis A. Monthly Notices of the Royal Astronomical Society 515 (1), pp. 594 - 605 (2022)

Jain, N.; Muñoz, P. A.; Farzalipour Tabriz, M.; Rampp, M.; Büchner, a. J.: Importance of accurate consideration of the electron inertia in hybrid-kinetic simulations of collisionless plasma turbulence: The 2D limit. Physics of Plasmas 29, 053902 (2022)

Bentkamp, L.; Drivas, T. D.; Lalescu, C. C.; Wilczek, M.: The statistical geometry of material loops in turbulence. Nature Communications 13, 2088 (2022)

Ondratschek, P. A.; Röpke, F. K.; Schneider, F. R. N.; Fendt, C.; Sand, C.; Ohlmann, S. T.; Pakmor, R.; Springel, V.: Bipolar planetary nebulae from common-envelope evolution of binary stars. Astronomy and Astrophysics 660, L8 (2022)

Gapsys, V.; Hahn, D. F.; Tresadern, G.; Mobley, D. L.; Rampp, M.; de Groot, a. B. L.: Pre-exascale computing of protein–ligand binding free energies with open source software for drug design. Journal of Chemical Information and Modeling 62 (5), pp. 1172 - 1177 (2022)

Lach, F.; Callan, F. P.; Bubeck, D.; Röpke, F. K.; Sim, S. A.; Schrauth, M.; Ohlmann, S. T.; Kromer, M.: Type Iax supernovae from deflagrations in Chandrasekhar mass white dwarfs. Astronomy and Astrophysics 658, A179 (2022)