SDL Molecular Systems participates on a regular level in the Guest Student Programme of JSC. Ususally at least one guest is supervised in the SDL. The projects include the whole spectrum of topics researched by the SDL. The following list gives an overview about past topics and guest students. Abstracts about the different projects can be found here.

year

name

topic

supervisor(s)

2020

Sander Reuvecamp

Mapping Processes in a Multi-Domain Decomposition

Godehard Sutmann, Rene Halver

2018

David Immel

Adaptive Dynamic Load Balancing with Voronoi Cells - Increasing efficiency for parallel particle simulations

Godehard Sutmann

2017

Saskia Körning

Domain Decomposition with Space-filling Geometries

Godehard Sutmann

2016

Utkan Çalişkan

Sorting and Administration of Particles in OpenCL

Godehard Sutmann,

Rene Halver,

Willi Homberg

2015

Malte Jongmanns

Combining Linked-Cell Lists and Verlet Lists in OpenMP

Godehard Sutmann,

Rene Halver

2015

Julian Keupp

Methods for Fast Thermal Equilibration in Molecular Dynamics Simulations

Viorel Chihaia

2015

Christian Schwermann

Local election Correlation Techniques for Multireference Methods

Thomas Müller

2014

Stephan Schulz

Stochastic and Interaction based Boundary Conditions in MPCD and Flow Simulations

Rene Halver

2014

Georgi Stoychev

Tools for Preparation and Analysis of Molecular Dynamics Simulations - Applications in Fast Equilibration Procedures

Viorel Chiaia

2014

Christoph Schran

Wading the Sea of Isomere - Topological Aspects and Relative Stability of Allotropomeres of Cage Clusters

Thomas Müller

2013

Jannis Ehrlich

Completely and highly efficient parallel implementation of the Lowe-Anderson thermostat

Viorel Chiaia

2013

Henrik Larsson

Molecular orbital generation sequences

Thomas Müller

2012

Felix Uhl

Efficient Communication Schemes for Stochastic Thermostats in parallel MD Simulations

Viorel Chiaia,

Godehard Sutmann

2011

Sebastian Banert

A Coulomb Solver Based on a Parallel NFFT for the ScaFaCoS Library

Rene Halver,

Godehard Sutmann

2011

Janine George

Quantum Chemical Calculations on the Potential Energy Surface of Ozone

Thomas Müller

2010

Alina Georgiana Istrate

Integration of high order compact scheme into Multigrid

Godehard Sutmann

2009

Theodorus Zelleke

Domain-Force-Decomposition

Godehard Sutmann

2009

Stefan Maintz

Electronic Structure of Transition Metal Complexes with Phthalocyanines

Thomas Müller

2008

Stefan Müller

Fast Computation of the Ewald Sum

Godehard Sutmann

2007

Alexander Wuester

Improving Communication in a Force Decomposition Algorithm

Godehard Sutmann

2007

Andreas Uhe

Implentation of a Quantum Monte Carlo Code on BGL

Thomas Müller

2007

Michael Pippig

Parallele schnelle Fouriertransformation nichtäquidistanter Daten

Matthias Bolten,

Godehard Sutmann

2006

Florian Janoscheck

Load Balance and Scalability of Force Decomposition Methods in Parallel Molecular Dynamics Simulations

Godehard Sutmann

2006

Sebastian Höfener

Ein Beitrag zur Entwicklung einer parallelen Version von AOFORCE des Programmpaketes TURBOMOLE

Thomas Müller

2004

Jakob Schluttig

A Parallel Cluster Algorithm for Monte Carlo Simulations Applied to Model DNA Systems

Godehard Sutmann

2004

Slawomir Pitula

Quantum Chemical Investigations on the Auger Process Induced Fragmentation of Organic Compounds and its Significance to DNA Irradiation Damage

Thomas Müller

2003

Matthias Bolten

Parallel lineare Algebra für blockdiagonale Matrizen

Thomas Mülle

2003

Jan Albersmeyer

Parallele Mehrgitterverfahren für die dreidimensionale Poissongleichung

Godehard Sutmann

2002

Martin J. Fengler

Ein neuer Ansatz zur effizienten Behandlung des Eigenwertproblems in SCF-Verfahren

Inge Gutheil,

Thomas Müller

2002

V.V. Stegaliov

Optimization of neighbor list techniques and analysis of effects of round-off errors in molecular dynamics calculations

Godehard Sutmann

2001

Andreas Nußbaumer

A Multiple-Time-Step-Algorithm for Molecular Dynamics Simulations

Godehard Sutmann

2000

Oliver Vormoor

Simulation of colloidial systems in aquous solution

Rudolf Berrendorf,

Godehard Sutmann

2000

Zoe Cournia

The Ewald Summation method: Calculating long-range interactions

Godehard Sutmann

Last Modified: 07.02.2022