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Dokumenttyp:
Bachelorarbeit
Autor(en):
Tanjaya, Ivander Alson
Titel:
Simulation of Supercooled Argon Gas using the Smoothed Lennard-Jones Potential in md-flexible
Übersetzter Titel:
Simulation von unterkühltem Argongas unter Verwendung des smoothed Lennard-Jones-Potentials in md-flexible
Abstract:
In molecular dynamics, the Lennard Jones potential is a popular first choice for the force calculation between particle pairs, but for some scenarios, such as supercooling of Argon, the standard truncated Lennard Jones potential might introduce inaccuracies in the simulation due to the sudden jump at the cutoff point[GKZ07]. This paper presents the implementation of the vectorized smoothed Lennard Jones potential using three different approaches: auto-vectorized, masked, and gather scatter....     »
Stichworte:
AutoPas; Smoothed Lennard-Jones; Vectorization; Google Highway; Molecular Dynamics
Aufgabensteller:
Bungartz, Hans-Joachim
Betreuer:
Newcome, Samuel James
Jahr:
2024
Quartal:
4. Quartal
Jahr / Monat:
2024-10
Monat:
Oct
Sprache:
en
Hochschule / Universität:
Technical University of Munich
Fakultät:
TUM School of Computation, Information and Technology
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