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Conference "Particle Simulations in Natural Science and Engineering" of the SFB 716

Banner_SFB716_Final_Conference_2018Copyright: By Vitold Muratov (CC BY-SA 3.0)

External Speakers

The following external speakers are invited to the Final Conference of the SFB 716. From 24th to 26th September 2018 they give insights in their talks into the current research of simulation and its applications.

Project area A:

Fluid Mechanics and Thermodynamics

Hans Hasse
Prof. Dr. Hans Hasse, University of Kaiserslautern
Research Interest

The research of Hans Hasse is located on the interface of  thermodynamical basic research. With his team he is on the track of systematic errors within the moleculardynamic simulations. His priorities are the Thermodynamics of Material Analysis and of Process Engineering, the Theoretical Thermodynamics of Molecular Structures and the Biothermodynamical Research. They are characterised by a close engulfment of experiment, modelling and simulation.

Gabriele Sadowski
Prof. Dr. Gabriele Sadowski, Technical University of Dortmund
Research Interest

The research of Gabriele Sadowski focuses on the solvent influence on reaction equilibria and reaction kinetics. Solvents are widely used in chemical industry to facilitate a broad variety of applications. Using thermodynamic modeling allows for predicting the solvent influence on chemical (and biological) reactions and therewith drastically reduces the experimental effort for selecting the best-suitable solvent for a reaction of interest.

Project area B:

Material Sciences and Mechanics

Martin E Garcia
Prof. Dr. Martin E. Garcia, University of Kassel
Research Interest

Martin E. Garcia focusses on Microscopic theoretical description of femtosecond structural phase transitions. With his team he develops a numerical approach to treat ultrafast phase transitions induced by laser pulses of arbitrary form. Applying the method of molecular dynamic simulations to diamond, his team shows that a nonequilibrium transition to graphite takes place for a wide range of pulse durations and intensities.

Gemming Sabine
Prof. Dr. Sibylle Gemming, Helmholtz-Center Dresden
Research Interest

Sibylle Gemming is a specialised researcher in the field of  Material Simulation and the scale overlapping Material Modelling. Interesting for her and her team is the impact of  the smallest changes on the atomic scale on the properties of the overall system. Molecules or solid states on the nanometer scale show particularly new properties in comparence of any other materials known to us. To understand the mechanical, magnetic and electronic specifics of these systems via experiment and simulation, is her goal.

Project area C:

Biochemistry and Biophysics

Ulrich Keyser
Prof. Dr. Ulrich F. Keyser, University of Cambridge
Research Interest

The main research of Ulrich Keyser is focused on understanding all transport processes through membranes of both biological and technological origin. Specifically, the physics of ions, macromolecules and particles in confined geometries at the single molecule or particle level. His aim: to exert maximum control over all parameters in the experiment and to develop new measurement techniques based on a combination of single molecule approaches.

Martin Zacharias
Prof. Dr. Martin Zacharias, Technical University of Munich
Research Interest

The research of Martin Zacharias is Moleculardynamics. To comprehend the transactions of molecules and their  atomic details, he and his team use moleculardynamic simulations, which are based on the most important method of a classical electric field. The goal is, to comprehend the processes of structure building better and to decode the mechanisms of the association of  biomolecules. With the simulations and by using the methods of statistical mechanics they are able to analyse the thermodynamical and kinetic properties of molecules.

Project area D:

Skalable Algorithms and Efficient Implementation

Springel Volker
Prof. Dr. Volker Springel, Heidelberg Institute for Theoretical Studies
Research Interest      

The main aim of the research of Volker Springel is reviewing parts of the basic methodology of cosmological simulations, which involve very large particle numbers and aim to address an enormous dynamic range as well as multi-physics complexity. Numerical simulations on large supercomputers have become the tool of choice to predict the non-linear outcome of cosmic structure formation. He describes current forefront results, which help to understand the formation process of galaxies and its regulation by feedback from supernova explosions and supermassive black holes.

Westermann Ruediger
Prof. Dr. Rüdiger Westermann, Technical University of Munich
Research Interest

Rüdiger Westermann is specialised in the field of practical Informatics, e.g. computer graphic, scientific visualisation and numerical real-time simulation. His research focusses on the development of efficient algorithms in regard of an interactive data exploration and the physical simulations in virtual surroundings. He and his team implement particularly volumina visualisation and multiscale simulations with finite elements on High-performance architectures.

Scientists of the projects of the SFB 716

The teamleaders of the SFB 716 projects report at the Final Conference of the results of their subprojects.

Thomas Ertl
Prof. Dr. Thomas Ertl, Institute for Visualisation and Interactive Systems (VIS), University of Stuttgart
Subprojects
D.3: Visualisation of Systems with Large Particle Numbers
D.4: Interactive Visualisation of Protein-Solvent Systems' Dynamic and Complex Properties
Public Relations
Stefanos Fasoulas
Prof. Dr. Stefanos Faoulas, Institute of Space Systems (IRS), University of Stuttgart
Subproject
B.8: Coupled PIC-DSMC-Simulation of Laser Driven Ablative Gas Expansions
Maria Fyta
Jun.-Prof. Dr. Maria Fyta, Institute for Computional Physics (ICP), University of Stuttgart
Subprojects
B.6: Structure and Stability of Carbon Nanoclusters
C.9: Diamondoid-Functionalized Nanopores as Biosensors
Colin Glass
Dr. Colin Glass, High-Performance Computer Center, Univeristy of Stuttgart
Subproject
D.9: Load-Balancing for Scalable Simulations with Large Particle Numbers
Joachim Gross
Prof. Dr.-Ing. Joachim Groß, Institute of Thermodynamics and Thermal Process Engineering (ITT), University of Stuttgart
Subproject
A.9: Modelling and Prediction of Supramolecular Complexes for the Design of Novel Materials
Niels Hansen
Prof. Dr. Niels Hansen, Institute of Thermodynamics and Thermal Process Engineering (ITT), University of Stuttgart
Subproject
A.9: Modelling and Prediction of Supramolecular Complexes for the Design of Novel Materials
 
Christian Holm
Prof. Dr. Christian Holm, Institute for Computional Physics (ICP), University of Stuttgart
Spreaker of the SFB 716
Subproject
C.5: Macromolecular Transport by Nanoscaled Pores
Johannes Kaestner
Prof. Dr. Johannes Kästner, Institute for Theoretical Chemistry (ITheoC), University of Stuttgart
Subprojects
C.6: Umbrella-Sampling-Simulation
C.8: Molecular Dynamics Simulations for the Detection of Unfolding Pathways and Stable Conformations of DNA G-Quadruplexes
Krone Michael
Jun.-Prof. Dr. Michael Krone, Center for Bioinformatics (ZBIT), University of Tübingen
Subproject
D.4: Interactive Visualisation of Protein-Solvent Systems' Dynamic and Complex Properties

 

Andreas Kronenburg
Prof. Dr. Andreas Kronenburg, Institute for Combustion Technology (ITV), University of Stuttgart
Subproject
A.8: Agglomeration of Nanosized Particles in Turbulent Flows
Miriam Mehl
Prof. Dr. Miriam Mehl, Institute for Parallel and Distributed Systems (IPVS), University of Stuttgart
Subproject
D.8: Adaptive Grid Implementation for Parallel Continuum Mechanics Methods in Particle Simulations
Ulrich Nieken
Prof. Dr.-Ing. Ulrich Nieken, Institute of Chemical Process Engineering, University of Stuttgart
Subproject
A.6: Modelling and Prediction of Supramolecular Complexes for the Design of Novel Materials
Juergen Pleiss
Prof. Dr. Jürgen Pleiss, Department for Technical Biochemistry, University of Stuttgart
Subprojects
C.1: Modelling the Influence of Organic Solvents on Structure and Flexibility of Enzymes
D.4: Interactive Visualisation of Protein-Solvent Systems' Dynamic and Complex Properties
 Guido Reina
Dr. Guido Reina, Visualisation Research Center (VISUS), University of Stuttgart
Subproject
D.3: Visualisation of Systems with Large Particle Numbers
 
Johannes Roth
Prof. Dr. Johannes Roth, Institute for Functional Materials and Quantum Technologies, University of Stuttgart
Subproject
B.5: Molecular Dynamic Simulation of Laser Ablation in Metals
Siegfried Schmauder
Prof. Dr. Siegfried Schmauder, Institute for Materials Testing, Materials Science and Strenghst of Materials (IMWF), University of Stuttgart
Subproject
B.2: Atomistic Simulation of Internal Interfaces in Copper Matrix Alloys
jens Smiatek
Dr. Jens Smiatek, Institute for Computional Physics (ICP), University of Stuttgart
Subproject
C.8: Molecular Dynamics Simulations for the Detection of Unfolding Pathways and Stable Conformations of DNA G-Quadruplexes
 

 

weiskopfdaniel
Prof. Dr. Daniel Weiskopf, Visualisation Research Center (VISUS), University of Stuttgart
Subproject
D.5: Aggregation and Multiscale Techniques
 
PhD Students and Postdocs of the SFB 716

The PhD students and Postdocs of the SFB 716 introduce their subprojects and results in a poster session at Tuesday, 25th September 2018, at 18:00 pm.

Dr. Sonja Àlvarez Barcia
Subproject C.6
Jörg Baz
Subproject A.9
April Cooper
Subproject C.6
Stephen Copplestone
Subproject D.8
Eugen Eisfeld
Subproject B.5
Dr. Valerio Ferrario
Subproject C.1
Patrick Gralka
Subproject D.3
Steffen Hirschmann
Subproject D.9
Dr. Stephen Hocker
Subproject B.2
Dr. Manuel Hopp-Hirschler
Subproject A.6
Takeshi Kobayashi
Subproject C.9
Michael Lahnert
Subproject D.8
Ewa Anna Oprzeska-Zingrebe
Subproject C.8
Karsten Schatz
Subproject C.6
Dr. Milena Smiljanic
Subproject A.8
Kai Szuttor
Subproject C.5
Florian Weik
Subproject C.5
 
Alumni Members of the SFB 716
Prof. Dr. Hans-Rainer Trebin
Subproject B.1, B.5
Prof. Dr. Jadran Vrabec
Subproject A.1
 
Office and Public Relations
Petra Enderle
Public Relations
Meike Kreidler
Office
Corinna Schwob
Office

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