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Dokumenttyp:
IDP-Arbeit
Autor(en):
Martin, David
Titel:
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...     »
Stichworte:
Molecular Dynamics; 3-Body; r-RESPA
Aufgabensteller:
Bungartz, Hans-Joachim
Betreuer:
Newcome, Samuel James; Muehlhaeusser, Markus
Jahr:
2024
Quartal:
2. Quartal
Jahr / Monat:
2024-06
Monat:
Jun
Sprache:
en
Hochschule / Universität:
Technical University of Munich
Fakultät:
TUM School of Computation, Information and Technology
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