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Document type:
IDP-Arbeit
Author(s):
Martin, David
Title:
Evaluation of the Multiple Time-Stepping Method for 3-Body Molecular Dynamics Simulations
Abstract:
Understanding the complex behavior of molecular systems is fundamental to fields such as chemistry, physics, materials science, and biology. Molecular dynamics (MD) simulations are crucial tools for studying atomic-level dynamics. This work focuses on improving the efficiency of MD simulations involving two-body and three-body interactions. Traditional two-body potentials often can not fully capture the complexity of molecular systems, making the inclusion of three-body interactions necessary. H...     »
Keywords:
Molecular Dynamics; 3-Body; r-RESPA
Supervisor:
Bungartz, Hans-Joachim
Advisor:
Newcome, Samuel James; Muehlhaeusser, Markus
Year:
2024
Quarter:
2. Quartal
Year / month:
2024-06
Month:
Jun
Language:
en
University:
Technical University of Munich
Faculty:
TUM School of Computation, Information and Technology
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