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18:30 |
MM 17.1 |
Implementation of Experimental Results in an Ontology of Magnetocaloric Materials Research — Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, and •Martin Wortmann
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18:30 |
MM 17.2 |
Electronic structure fingerprints of nickel-cobalt-manganese oxide from high-throughput ab initio calculations — •Timo Reents, Daniel Duarte-Ruiz, and Caterina Cocchi
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18:30 |
MM 17.3 |
From ab-inito to experiments: A Python workflow for constructing neuroevolution potentials — •Eric Lindgren, Adam Jackson, Zheyong Fan, Christian Müller, Jan Swenson, Thomas Holm-Rod, and Paul Erhart
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18:30 |
MM 17.4 |
Interoperable data workflows: A case study on non-vdW 2D systems — •Mani Lokamani, Gregor Michalicek, Daniel Wortmann, Stefan Blügel, and Rico Friedrich
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18:30 |
MM 17.5 |
Investigating phonons in superconducting Lanthanum Hydride using ab initio methods accelerated by machine learning potentials. — •Abhishek Raghav, Kousuke Nakano, and Michele Casula
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18:30 |
MM 17.6 |
Machine-learning based optimization of hafnium-zirconium oxide compositions for stable ferroelectric applications in non-volatile memories — •Arunima Singh and Patrick Rinke
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18:30 |
MM 17.7 |
Computational Workflow for Defect Calculations for Solar Cell Applications — •Lotte Kortstee and Ivano Eligio Castelli
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18:30 |
MM 17.8 |
Modification of bimetallic sulfide anodes for sodium ion storage — •Zidong Wang
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18:30 |
MM 17.9 |
Machine-Learned Molecular Dynamics Simulations of Doping Effects in Sodium Ion Conductors — •Namita Krishnan, Takeru Miyagawa, Manuel Grumet, Waldemar Kaiser, and David A. Egger
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18:30 |
MM 17.10 |
Disorder in electronic properties of 2D and 3D perovskites on the nanoscale — •Andrii Shcherbakov, Darwin Korte, Shangpu Liu, Markus Heindl, Stanislav Bodnar, Jonathan Zerhoch, and Felix Deschler
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18:30 |
MM 17.11 |
Functional properties of aerosol deposited thick lead-free piezoelectric ceramic films — •Michel Kuhfuß, Juliana G. Maier, Alexander Martin, Ken-ichi Kakimoto, Neamul H. Khansur, and Kyle G. Webber
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18:30 |
MM 17.12 |
interaction of hydrogen with local heterogeneities: correlating simulations and experiments — •Onur Can Şen, Santiago Benito, Sebastian Weber, and Rebecca Janisch
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18:30 |
MM 17.13 |
Mechanochemical Pathway to Nickel — •Jikai Ye, Christian H. Liebscher, and Michael Felderhoff
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18:30 |
MM 17.14 |
Raman Spectroscopy and Photoluminescence Studies on Recyclate-based MgO-C Composites — •Julia Richter, Cameliu Himcinschi, Mahnaz Mehdizadehlima, Serhii Yaroshevskyi, Till Manon Jannis Stadtmüller, and Jens Kortus
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18:30 |
MM 17.15 |
Optothermal analysis of Indium thiospinels — •André Straßheim, Cameliu Himcinschi, Ayberk Özden, Esteban Zuñiga-Puelles, Roman Gumeniuk, and Jens Kortus
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18:30 |
MM 17.16 |
Direct visualization of electric current induced dipoles of atomic impurities — •Yaowu Liu, Zichun Zhang, Sidan Chen, Shengnan Xu, Lichen Ji, Wei Chen, Xinyu Zhou, Jiaxin Luo, Xiaopeng Hu, Wenhui Duan, Xi Chen, Qikun Xue, and Shuaihua Ji
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18:30 |
MM 17.17 |
Tuning thermal and ionic transport properties of sodium superionic conductors for advanced energy storage: insights from molecular dynamics simulations — •Insa de Vries, Freya Hallfarth, and Nikos Doltsinis
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18:30 |
MM 17.18 |
Ab-initio simulation of electronic transport in amorphous phase change materials — •Nils Holle, Sebastian Walfort, Riccardo Mazzarello, and Martin Salinga
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18:30 |
MM 17.19 |
Accurate ab initio vacancy properties in concentrated Mo-Ta alloys from machine-learning potentials — •Xiang Xu, Xi Zhang, Sergiy Divinski, and Blazej Grabowski
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18:30 |
MM 17.20 |
Machine learning approach to obtaining the scattering self-energy from transmission calculations — •Fabian Engelke, Markus Kremer, Michael Czerner, and Christian Heiliger
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18:30 |
MM 17.21 |
Multi-scale modeling of heat conduction in filled polymer composites — •Oliver Roser, Andreas Griesinger, and Othmar Marti
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