Sandra Luber
University of Zurich, Switzerland
Title: Exploring ionic liquids and solar water splitting catalysis via high-performance ab initio molecular dynamics
Biography
Biography: Sandra Luber
Abstract
Ionic liquids receive more and more attention due to their potential applications as, for instance, electrolytes and green solvents. Being composed of charged entities, they exhibit favorable properties of high interest for use in laboratories and industry. In order to study their complex behavior, dynamic ab initio calculations are indispensable. The same is true for the understanding of water splitting catalysts in solution. Detailed analysis of their catalytic functioning and the factors determining their efficiency are a prerequisite for the design of more efficient catalysts. We present our recent research for the in-depth study of ionic liquids and water splitting catalysis using forefront computational methods such as high-performance ab initio molecular dynamics.
