Öffentliche Seminare

I will present techniques to find reaction coordinates to be used in conjunction with free energy biasing techniques such as the adaptive biasing force method. This allows for instance to improve the ... [mehr]

Dynamic Load Balancing for Parallel Particle Simulations

Parallel computing has developed as a central tool in scientific computing to solve large scale problems involving huge number of degrees of freedom, complex geometries or coupled applications. The ... [mehr]

Taming complex fluids with thermal fields

External fields, thermal and electromagnetic, induce a range of non-equilibrium effects in complex fluids consisting of nanoparticle suspensions (Soret, Seebeck, Peltier effects), which can be ... [mehr]

Dynamics of Soft Matter in Increasingly Complex Environments

Recent advancements in the understanding of the dynamics of soft matter is presented, concentrating on polymer melts with some outlook on semiconducting polymers and lipid membranes in solution ... [mehr]

Improving accuracy of systematic coarse-grained simulations

Billion atom simulations are just now becoming possible in molecular simulation for nanoseconds. We've also crossed the millisecond barrier for simulating biomacromolecules. What's left ... [mehr]

Development of a coarse-grained model for liquid-like protein assemblies

In this talk, I will describe ongoing efforts in my group aimed at developing an accurate simulation model to study the thermodynamics and kinetics of multiprotein assembly. We use a "top-down" ... [mehr]

Quantum computing and its applications in chemistry and physics

Quantum computing is emerging as a new paradigm for the solution of a wide class of problems that are not accessible by conventional high performance classical computers. Quantum computers can in ... [mehr]

Understanding the friction of atomically thin layered materials

Friction is a ubiquitous phenomenon that greatly affects our everyday lives and is responsible for large amounts of energy loss in industrialised societies. Layered materials such as graphene have ... [mehr]
Amyloid fibrils are well-ordered supramolecular polymers consisting of thousands of protein molecules connected via intermolecular hydrogen bonds. For intrinsically disordered proteins (IDP), amyloid ... [mehr]

Conducting polymers and bioinspired materials for organic bioelectronics

Organic electrochemical transistors (OECTs) have rapidly surged as amplifying transducers forbiosensing or diagnostic devices and for cells/nerves stimulation. 1 OECTs translate ionic signalsinto ... [mehr]
The invention of new materials combined with an improved knowledge of structure-property relationships of organic donor-acceptor blends led to an impressive improvement in their energy conversion ... [mehr]
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