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18:00 |
MM 10.1 |
Training Gaussian Approximation Potentials for Aqueous Systems — •Nikhil Bapat, Martin Vondrák, Johannes T. Margraf, Hendrik H. Heenen, and Karsten Reuter
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18:00 |
MM 10.2 |
Transfer learning on organic/inorganic interfaces for different substrates — •Elias Fösleitner, Johannes Cartus, Lukas Hörmann, and Oliver T. Hofmann
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18:00 |
MM 10.3 |
Large-scale molecular dynamics simulations using fourth generation neural network potentials — •Emir Kocer, Andreas Singraber, Tsz Wai Ko, Jonas Finkler, Philipp Misof, Christoph Dellago, and Jörg Behler
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18:00 |
MM 10.4 |
Interatomic Potential Fitting in pyiron — •Marvin Poul, Niklas Leimeroth, Alexander Knoll, Marius Herbold, and Joerg Neugebauer
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18:00 |
MM 10.5 |
Effect of temperature pre-treatments on atomic dynamics in PdNiP studied with ECM — •Olivia Vaerst, Martin Peterlechner, and Gerhard Wilde
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18:00 |
MM 10.6 |
Investigating the short-range order of amorphous GeTe upon structural relaxation obtained by TEM diffractometry and RMC methods — •Christian Stenz, Julian Pries, T. Wesley Surta, Michael W. Gaultois, and Matthias Wuttig
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18:00 |
MM 10.7 |
Influence of swift heavy ion irradiation on Pd-based metallic glasses — •Saba Khademorezaian, Maximillian Demming, Marilena Tomut, Sergiy Divinski, and Gerhard Wilde
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18:00 |
MM 10.8 |
Investigations on the relaxation of metallic glasses using fast scanning calorimetry — •Maximilian Demming, Mark Stringe, Martin Peterlechner, and Gerhard Wilde
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18:00 |
MM 10.9 |
The contribution has been withdrawn.
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18:00 |
MM 10.10 |
Atom probe tomography study of diffusion in Al-TiB2 and Al3Ta-TiB2 systems — •Evgeniia Volobueva, Patrick Stender, Jiehua Li, and Guido Schmitz
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18:00 |
MM 10.11 |
Reducing the Reduction Temperature of Graphene Oxide with a Copper Metal Catalyst — •Leonhard Niemann, Martin Köhne, André Hermannsdorfer, and Christoph Tegenkamp
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18:00 |
MM 10.12 |
Flatbands and Nonlinear Transport in Nodal Line Semimetals — •Thomas Bömerich, Jinhong Park, and Achim Rosch
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18:00 |
MM 10.13 |
Towards an efficient formalism to calculate Electron-Phonon-coupling Self Energies and Transport properties from MD Simulation — •Markus Kremer, Michael Czerner, and Christian Heiliger
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18:00 |
MM 10.14 |
Determination of interdiffusion coefficients for Pt-Pd binary system by Atom Probe Tomography and DFT calculations — •Yoonhee Lee, Xi Zhang, Sebastian Manuel Eich, Patrick Stender, Blazej Grabowski, and Guido Schmitz
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18:00 |
MM 10.15 |
Imbibition- and Drying-Induced deformation of Nanoporous Solids — •Juan Sanchez, Patrick Huber, Howard Stone, Lars Dammann, and Zhuoquing Li
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18:00 |
MM 10.16 |
The Interplay of Spreading, Imbibition and Evaporation of Droplets at Nanoporous Surfaces — •Laura Gallardo, Juan Sánchez, Olivier Vincent, and Patrick Huber
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18:00 |
MM 10.17 |
Kinetic trapping in brittle crack opening — •Tobias Müller and Bernd Meyer
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18:00 |
MM 10.18 |
Comparison of Crack - Dislocation Interactions in fcc and bcc Metals — •Benedikt Eggle-Sievers and Erik Bitzek
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18:00 |
MM 10.19 |
Molecular dynamics analysis of point defects in ferroelectrics — •Takahiro Tsuzuki, Dilshod Durdiev, Frank Wendler, Ryo Kobayashi, Masayuki Uranagase, Hikaru Azuma, and Shuji Ogata
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18:00 |
MM 10.20 |
Effect of increasing Mn content on generalized planar fault energies of Ni-Mn-Ga alloys — •Martin Heczko, Petr Šesták, and Martin Zelený
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18:00 |
MM 10.21 |
Influence of Twin Boundaries on the Mechanical Behavior of Nanowires Subjected to Bending — •Saba Khadivianazar, Jonas Schickel, and Erik Bitzek
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18:00 |
MM 10.22 |
Benchmarking a Machine-Learning Enhanced Dimer Method for Transition State Search — •Nils Gönnheimer, King Chun Lai, Karsten Reuter, and Johannes T. Margraf
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18:00 |
MM 10.23 |
Al-Ge solid solubility prediction using machine-learned forcefield potentials and phonon calculations — •Ondřej Fikar and Martin Zelený
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18:00 |
MM 10.24 |
Simulation of long-term diffusion-based processes in Al and Ni — •Daria Smirnova and Erik Bitzek
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18:00 |
MM 10.25 |
Ab initio study on novel precipitate-matrix interfaces in Al-Sc based alloys — •Ujjal Saikia, Tilmann Hickel, Sankaran Shanmugam, Sergiy V. Divinski, and Gerhard Wilde
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18:00 |
MM 10.26 |
Ab initio study of point defects in disordered systems — •Pavel Papez, Martin Friák, and Martin Zelený
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18:00 |
MM 10.27 |
Charge distribution and electronic structure of ZIF-8 and its derivatives from first principles — •Joshua Edzards, Holger-Dietrich Saßnick, Ana Maria Valencia und Caterina Cocchi
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18:00 |
MM 10.28 |
Recent progress in ICET — J. Magnus Rahm, •Erik Fransson, Pernilla Ekborg-Tanner, Joakim Brorsson, Mattias Ångqvist, and Paul Erhart
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18:00 |
MM 10.29 |
Molecular dynamics simulations of porous silica networks — •Hemangi Patel, Barbara Milow, and Ameya Rege
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18:00 |
MM 10.30 |
Magnetotransport properties of coupled nanowire arrays in LAO/STO — •Ranjani Ramachandran, Dengyu Yang, Muqing Yu, Aditi Nethwewala, Patrick Irvin, Jeremy Levy, and Ki-Tae Eom
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18:00 |
MM 10.31 |
Investigation of fatigue-generated vacancies in thin metal films using nanoindenter creep tests — •My Nguyen, Thomas Brede, Jan Verhoeven, and Cynthia A. Volkert
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18:00 |
MM 10.32 |
Electrophysical properties of titanium-thermo-expanded graphite composites which can used in low-temperature thermionic converters — •Iryna Galstian, Halyna Mykhailova, Mykola Yakymchuk, Oleksij Tereshchenko, Mykhaylo Rud, Yevgen Tsapko, Olexandr Gerasimov, and Evgen Len
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