User: Guest  Login
Document type:
Bachelorarbeit
Author(s):
Tanjaya, Ivander Alson
Title:
Simulation of Supercooled Argon Gas using the Smoothed Lennard-Jones Potential in md-flexible
Translated title:
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....     »
Keywords:
AutoPas; Smoothed Lennard-Jones; Vectorization; Google Highway; Molecular Dynamics
Supervisor:
Bungartz, Hans-Joachim
Advisor:
Newcome, Samuel James
Year:
2024
Quarter:
4. Quartal
Year / month:
2024-10
Month:
Oct
Language:
en
University:
Technical University of Munich
Faculty:
TUM School of Computation, Information and Technology
 BibTeX