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18:00 |
MM 19.1 |
RuNNer 2.0: A Fast Software Environment forHigh-Dimensional Neural Network Potentials — •Moritz R. Schäfer, Alexander L. M. Knoll, J. Richard Springborn, Henry Wang, K. Nikolas Lausch, Moritz Gubler, Jonas A. Finkler, Gunnar Schmitz, Alea Miako Tokita, Emir Kocer, and Jörg Behler
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18:00 |
MM 19.2 |
Coordination Corrected Enthalpies for the Thermodynamics of Ionic Materials — •Balaram Thakur and Rico Friedrich
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18:00 |
MM 19.3 |
Experimentally supported machine-learning interaction potential for Pd-Si — •Przemyslaw Dziegielewski, Jerzy Antonowicz, Zuzanna Kostera, Oleksii Liubchenko, and Ryszard Sobierajski
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18:00 |
MM 19.4 |
Unveiling Anharmonicity in High-temperature Diffusion Through Transition State Thermodynamic Integration — •Wenchuan Liu, Xi Zhang, Xu Xiang, Sergiy Divinski, and Blazej Grabowski
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18:00 |
MM 19.5 |
Every configuration counts: An Exact Approach to Doping Effects in AlN — •Oliver Heymer and Jens Kortus
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18:00 |
MM 19.6 |
OpenCPMD: Plane-wave-based ab initio molecular dynamics code for large-scale HPC facilities — Tobias Klöffel, Christian L. Ritterhoff, Sagarmoy Mandal, Ritama Kar, Nisanth N. Nair, and •Bernd Meyer
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18:00 |
MM 19.7 |
A Hartree-Fock Analysis of the Finite Jellium Model — •Michael Píro and Jaroslav Hamrle
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18:00 |
MM 19.8 |
Benchmarking Local Geometry Optimization Algorithms for Realistic Potential Energy Surfaces of Solids — •David Greten, Konstantin Jakob, Karsten Reuter, and Johannes T. Margraf
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18:00 |
MM 19.9 |
Acquisition strategies in multi-objective Bayesian optimization — •Tatu Linnala, Matthias Stosiek, Joakim Löfgren, and Patrick Rinke
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18:00 |
MM 19.10 |
Transfer Learning Pipeline for GRACE Foundation Models for Complex Materials — •Christian L. Ritterhoff, Yury Lysogorskiy, Anton Bochkarev, Bernd Meyer, and Ralf Drautz
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18:00 |
MM 19.11 |
LLZO grain boundaries with doped amorphous domains by adaptively fine-tuned machine-learning interatomic potentials — •yuandong wang, yute chan, karsten reuter, and christoph scheurer
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18:00 |
MM 19.12 |
SEI-ntific Discoveries: A DFTB Journey with Constant Potential — •Anton Beiersdorfer, Tobias Melson, Felix Riccius, Chiara Panosetti, Christoph Scheurer, and Karsten Reuter
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18:00 |
MM 19.13 |
Separating light and heat effects in the electrochemical performance ofilluminated V2O5 lithium-ion battery cells — •Pavel Rozov, Tom Wickenhäuser, Luca Bischof, Ewa Mijowska, and Rüdiger Klingeler
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18:00 |
MM 19.14 |
Shining a Light on Stored Charges: Linking Excitation Spectra to Polaron Dynamics in Solar Battery Materials — •Leon Müller, Matthias Kick, and Karsten Reuter
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18:00 |
MM 19.15 |
Anisotropic Thermoelectric Energy Converters Based on Bi Microwires and Films. — •Leonid Konopko, Albina Nikolaeva, Tito Huber, and Denis Shiversky
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18:00 |
MM 19.16 |
Structure and transport properties of Li-Zr-Cl-O oxychloride solid electrolytes — •Ziyan Zhang, Shuai Chen, Peter Müller-Buschbaum, and Anatoliy Senyshyn
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18:00 |
MM 19.17 |
Segregation of H in planar defects of BCC Fe — •Rohan Kumar, Mariano Forti, Rebecca Janisch, Thomas Hammerschmidt, and Ralf Drautz
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18:00 |
MM 19.18 |
Experimental Determination of Site Energy Spectrum of Hydrogen in Metal Thin Films — •Magdalena Seiler, Stefan Wagner, and Astrid Pundt
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18:00 |
MM 19.19 |
In-Situ Electrochemical Micromechanics of Hydrogen-Charged Palladium — •Hou Zhang, Henry Ovri, and Shan Shi
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18:00 |
MM 19.20 |
In-depth Study of Hydrogen Permeation through Zinc Coated Steel — •Tatjana Ott, Elahe Akbari, Christoph Cobet, Jiri Duchoslav, Heiko Groiss, Andreas Muhr, Reza Sharif, Thomas Steck, Laura Mears, and Markus Valtiner
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18:00 |
MM 19.21 |
Hydrogen-induced resistance response in nanoporous Pd-Cu thin film — •Yushen Huang and Shan Shi
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18:00 |
MM 19.22 |
Crystallization kinetics of supercooled liquid palladium — •Zuzanna Kostera, Przemyslaw Dziegielewski, Ryszard Sobierajski, and Jerzy Antonowicz
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18:00 |
MM 19.23 |
DFT study of the optical and electronic properties of N-Acyl-N'-Aryl thiourea derivatives — •amani zaghdoudi
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18:00 |
MM 19.24 |
Electronic properties of Carbon nanoscrolls — •Tzu-Ching Hsu, Jhih-Shih You, Hsiu-Chuan Hsu, and Ion Cosma Fulga
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18:00 |
MM 19.25 |
Correlating Atomic Structure and Grain Boundary Energy in the 5D Space of Degrees of Freedom — •Mahkam Madadi, Timo Schmalofski, Martin Kroll, Holger Dette, and Rebecca Janisch
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18:00 |
MM 19.26 |
Machine-learned interatomic potentials for hydrogen-affected fracture in silica minerals — •Valentína Berecová, Martin Friák, and Jana Pavlů
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18:00 |
MM 19.27 |
Silica-Supported Nano Metal Complexes Derived from a Schiff Base Ligand: Structural, Theoretical, and Catalytic Investigations — •Tarek El-Dabea
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18:00 |
MM 19.28 |
synchrotron XAFS Study of Fe3O4/Au core--shell nanoparticles for magnetic--plasmonic applications — •Mai EL-Masry, Giuliana Aquilanti, Messaoud Harfouche, Neama Imam, and Jan Ingo FLEGE
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18:00 |
MM 19.29 |
Relaxation and crystallization behavior of the metallic glass former PdNiP near the glass transition temperature — •Noah Colell
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18:00 |
MM 19.30 |
Molecular micro-heterogeneity: Structure formation and phase behavior in aqueous alkylamine mixtures — •Lena Friedrich, Martina Požar, Aurélien Perera, Michael Paulus, Nicola Thiering, Jaqueline Savelkouls, Eric Schneider, Bernada Lovrinčević, Dirk Lützenkirchen-Hecht, and Christian Sternemann
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18:00 |
MM 19.31 |
Effects of physical properties on the solidification kinetics of undercooled Zr-Cu-Ni alloy under reduced gravity — •Chu Yu, Yindong Fang, and Stephanie Lippmann
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18:00 |
MM 19.32 |
Exploring Molecular Fragmentation and Structure in PVP Thin Films via Atom Probe Tomography — •Parisha Diwan
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18:00 |
MM 19.33 |
Electronic property analysis of structure and bonding at oxidized aluminium surfaces — •Lütfi Çağlar Ege, Nebahat Bulut, Zhengqing Wei, Inna Plyushchay, and Sibylle Gemming
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18:00 |
MM 19.34 |
The vacancy effect to the mechanical properties of high entropy borides — •Nebahat Bulut, Inna Plyushchay, Anna Pliushchai, and Sibylle Gemming
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18:00 |
MM 19.35 |
Band geometric transverse current driven by inhomogeneous AC electric field — •M Maneesh Kumar, Sanjay Sarkar, and Amit Agarwal
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18:00 |
MM 19.36 |
Modelling heat transport in BTBT and its derivatives using non-equilibrium molecular dynamics (NEMD) simulations — •Simon Jamnik, Florian Lindner, Florian Unterkofler, and Egbert Zojer
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18:00 |
MM 19.37 |
Neural Network Potentials for Molecular Dynamics Simulations of NASICON Solid Electrolytes — •Insa F. de Vries and Nikos L. Doltsinis
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18:00 |
MM 19.38 |
An extended two-temperature model for copper — •Simon Kümmel and Johannes Roth
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18:00 |
MM 19.39 |
Ballistic transport effects on the thermal conduction in nanowires — Ralf Meyer, Graham W. Gibson, and •Alexander N. Robillard
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18:00 |
MM 19.40 |
Many-body localization for fermions and bosons - similarities and differences — •Krystian Jablonowski
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18:00 |
MM 19.41 |
Perturbation theory for light-induced frequency shifts of thin quartz acoustic resonators — •Marinus Lehmann, Marek Bekir, and Carsten Henkel
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18:00 |
MM 19.42 |
Anomalous resistance behavior of NiTi alloys at high temperatures — •Tianyi Xu, Leo Pies, Oluwaseyi Oluwabi, Sven Graus, Andreas Kreyßig, Jan Frenzel, and Anna E. Böhmer
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18:00 |
MM 19.43 |
Correlated-electron metallic systems at extremely high temperature — •Zuzanna Helena Filipiak and Andrew P. Mackenzie
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18:00 |
MM 19.44 |
Thermal Conductivity Measurements Using Laser Flash Analysis in Mg3(Sb,Bi)2 and Related Compounds — •Thomas Terörde, Benjamin Bornmann, Christian Heß, Ran He, Vishak Sivasubramaniyan Sudandiradevi, and Kornelius Nielsch
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18:00 |
MM 19.45 |
Li transport in V2O5 quantified by optical microscopy — •Vidula Angane-Ambure, Monica Mead, and Guido Schmitz
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18:00 |
MM 19.46 |
Beyond arsenopyrite’s monoclinic model: new insights on triclinic symmetry and local, chemically driven disorder in FeAs1−xS1+x — •Esteban Zuñiga-Puelles, Ayberk Özden, Nebahat Bulut, Raul Cardoso-Gil, Christoph Hennig, Gerhard Heide, Cameliu Himcinschi, Jens Kortus, and Roman Gumeniuk
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18:00 |
MM 19.47 |
Heat-treatment dependent hydrogen embrittlement behaviour of additively manufactured 316L — •Kai Lagemann, Gabriele Palazzo, Stefan Wagner, and Astrid Pundt
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18:00 |
MM 19.48 |
In Situ Investigation of Phase Evolution During Oxidation and Reduction of Powder Bed Fusion Copper Powders — •Eric Schneider, Lena Friedrich, Jaqueline Savelkouls, Fabienne Hellwig, Milli Suchita Kujur, Nick Hantke, Arne Röttger, Jan T. Sehrt, and Christian Sternemann
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18:00 |
MM 19.49 |
Transferable Hamiltonian-learning model for large-scale finite temperature electronic-structure calculations — •Kaiwen Chen, Martin Schwade, and David Egger
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