Atomare Simulation

Simulationen in der Materialwissenschaft

Atomare Simulation

Die atomare Simulation nutzt rechnerische Methoden, um auf atomarer Ebene die Wechselwirkungen, Dynamiken und Strukturen von Materialien zu untersuchen. Sie ermöglicht detaillierte Einsichten in Festkörper, hilft bei der Vorhersage von Materialverhalten und unterstützt die Entwicklung neuartiger Werkstoffe durch präzise Modellierungen und Simulationen.

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Machine-learning interatomic potentials for solid-state precipitation in metallic alloys

Piersante, L. (Speaker)¹; Natarajan, A.R.¹

Glass Synthesis in the Digital Age (“GLASAGENT”)

Fotheringham, U.¹; to Baben, M.²; de Carmargo, A.³; Deubener, J.⁴; Hickel, T.³; Janssen, J.⁵; Müller, R.⁴; Sierka, M.⁶; Pfeifer, L.⁷; Talirz, L. (Speaker)¹; Teepe, F.⁸; Thurow, K.⁹; Vu, A.-T.¹°; Wondraczek, L.⁶

MaterialsWeek 2025

High-accurate and -efficient potential for BCC iron based on the physically informed artificial neural networks

Zhang, M. (Speaker)¹; Hibi, K.¹; Inoue, J.¹

Integration of multi-scale workflows into the pyiron IDE

Hickel, T. (Speaker)¹; Janssen, J.²; Menon, S.²; Neugebauer, J.²; Waseda, O.²

FEMS EUROMAT 2023

Validating x-ray line-profile defect analysis using atomistic models of deformed metal

Race, C. (Speaker)¹; Ribarik, G.²; Ungar, T.¹

Keynote Lecture

Computer Simulation of Interfacial Transitions at Surfaces and Grain Boundaries

Rickman, J. (Speaker)¹

Beliebt

High-accurate and -efficient potential for BCC iron based on the physically informed artificial neural networks

Zhang, M. (Speaker)¹; Hibi, K.¹; Inoue, J.¹

Glass Synthesis in the Digital Age (“GLASAGENT”)

Fotheringham, U.¹; to Baben, M.²; de Carmargo, A.³; Deubener, J.⁴; Hickel, T.³; Janssen, J.⁵; Müller, R.⁴; Sierka, M.⁶; Pfeifer, L.⁷; Talirz, L. (Speaker)¹; Teepe, F.⁸; Thurow, K.⁹; Vu, A.-T.¹°; Wondraczek, L.⁶

MaterialsWeek 2025

Keynote Lecture

Computer Simulation of Interfacial Transitions at Surfaces and Grain Boundaries

Rickman, J. (Speaker)¹

Integration of multi-scale workflows into the pyiron IDE

Hickel, T. (Speaker)¹; Janssen, J.²; Menon, S.²; Neugebauer, J.²; Waseda, O.²

FEMS EUROMAT 2023

Machine-learning interatomic potentials for solid-state precipitation in metallic alloys

Piersante, L. (Speaker)¹; Natarajan, A.R.¹

Validating x-ray line-profile defect analysis using atomistic models of deformed metal

Race, C. (Speaker)¹; Ribarik, G.²; Ungar, T.¹

© 2025