On Friday, March 20, tune into Damien Thompson, SSPC Funded Investigator and Modelling theme leader based at the University of Limerick. Damien will describe the nanoscale physics that governs the design of more complex APIs at the molecular level. Computer simulations are allowing us to predict, prior to experiments, the structure-function properties of assemblies formed by small molecules, amino acids, peptides and full proteins in solution and on biological surfaces. We are interested in further developing and applying our computational tools to co-design novel API formulations in collaboration with SSPC Partners.
Bio: Damien Thompson leads the predictive materials modelling group at Bernal Institute UL and his research interests are modelling and design of nano-structured materials for technology applications. His group in UL design novel architectures and assemblies based on the directed self-assembly of nanoscale building blocks (molecules, monolayers, nanoparticles, and proteins) in collaboration with leading experimental and industry partners in European Framework, Science Foundation Ireland and Enterprise Ireland funded projects.
Atomic-resolution modelling of assemblies containing up to a few million atoms is performed using high performance computing facilities at the Materials and Surface Science Institute UL, the Irish Centre for High End Computing and supercomputing centers throughout mainland Europe.