Research Explorer

Project

Development of force fields to design tailor made organosilica materials
Code
3F023313
Duration
01 October 2013 → 30 September 2017
Funding
Regional and community funding: Special Research Fund, Research Foundation - Flanders (FWO)
Research disciplines
  • Natural sciences
    • Atomic and molecular physics
Keywords
organosilica Force fields molecular dynamics
 
Project description
 

There are no classical force fields available that can accurately describe organosilica materials. In this project, such a force field will be derived from first principles. By performing classical molecular dynamics simulations with the developed force field, a deeper understanding of the influence of different parameters on the material properties will be obtained. This will guide the experimental design of POSiSils and other organosilica.