logo-fast uniblau klein.png

IRTG / Soft Matter Science
Stefan-Meier-Str. 21
79104 Freiburg, Germany

+49 761 203 678 34
softmattergraduate[at]uni-freiburg.de


|    Flyer   |   Poster   |


Uni-Logo
You are here: Home Events Prof. Hendrik Heinz "Design of Biomaterials and Nanomaterials by Simulation and Experiment: Molecular Recognition, Assembly, and Applications"

Prof. Hendrik Heinz "Design of Biomaterials and Nanomaterials by Simulation and Experiment: Molecular Recognition, Assembly, and Applications"

— filed under:

Department of Chemical and Biological Engineering, University of Colorado-Boulder, Boulder, CO 80309, USA

What
  • Seminar
When Dec 19, 2018
from 02:15 PM to 03:00 PM
Where Seminarraum A, FMF, Stefan-Meier-Str. 21, Freiburg
Add event to calendar vCal
iCal

The development of functional materials continues to involve extensive trial-and-error studies while rational understanding and design using modeling and simulation play an increasing role thanks to more accurate models and affordable computing resources. This talk describes simulation techniques and capabilities at the 1 to 1000 nanometer scale related to the Interface force field (IFF) to understand recognition and assembly of metal, oxide, and biomineral nanostructures for various applications. We will discuss different mineral surfaces and interactions with organic compounds, implications on nanocrystal growth and morphology, as well as rules of molecular recognition and self-assembly derived from simulations. Specific adsorption and assembly of peptides and macromolecules on metallic and oxide/hydroxide nanostructures will be described according to measurements and simulations, including predictions in chemical accuracy and guidance in designing new commercial products. Applications to low dimensional materials, catalysts, hydrogels, and therapeutics will be discussed. The realistic representation of polar chemical bonding, specific surface chemistry, and electrolyte composition using IFF also supports accurate reactive simulations up to the large nanometer scale with heuristic inputs from quantum mechanics and experiment.

 

invited by Prof. Tanja Schilling

Personal tools