Research Area A: Molecular and Particle Simulation
To grasp something as a whole, one must focus on its parts, no matter how small. To this end, SimTech simulates all dimensions of systems and processes and relates scales to one another. It does not take a separate view of physical, chemical and biological processes but works with integrated approaches. That is what makes the SimTech cluster so special. SimTech’s researchers bridge gaps not only between different disciplines but also between macrocosm and microcosm with projects from Research Area A already delving into the nano- and quantum worlds.
Focussing the smallest particles
Scientists in the field of quantum mechanics often have to deal with completely different physical laws and problems compared with scientists working on molecules or macroscopic particles. The world of particles becomes even more complicated when one considers the numerous feasible interactions. Each particle is related to its neighbour and each influences the other while being influenced itself.
Search for hybrid techniques
The SimTech cluster develops and improves methods for simulating such processes. One field is molecular dynamics, used to study the dynamics and mechanical properties of molecules and solids on an atomic level. Together, the SimTech scientists are looking for hybrid techniques which are suitable for all scales. Their aim is to combine methods for quantum and molecular mechanics as well as particle and continuum mechanics. Bridging the gap to continuum mechanics and thus to Research Area B will open the door to the world of macrocosm.
From micro to macro
One of SimTech’s most important goals is to use results from molecular and particle simulations to find mathematical approaches for realistic modelling and simulations on a macroscopic level. This can only be achieved with the aid of highperformance computing. SimTech is already busy developing the hard- and software necessary for the enormous and ever-increasing computing work-load involved.
SimTech projects related Research Area B can be found in the following Project Networks:
- PN1: Multiscale simulation of materials
- PN2: Molecular simulations with high-performance and many-core computer systems