Code
3E021309
Duration
01 October 2009 → 30 September 2015
Funding
Regional and community funding: Special Research Fund, Research Foundation - Flanders (FWO)
Promotor
Fellow
Research disciplines
-
Natural sciences
- Applied mathematics in specific fields
- Astronomy and space sciences
- Atomic and molecular physics
- Classical physics
- Materials physics
- Mathematical physics
- Quantum physics
Keywords
model development
force fields
nanoporous materials
Project description
Force fields are the most efficient molecular models to simulate guest molecules in a nanoporous framework. The aim of this project is to advance
the theoretical tools for the construction of more accurate force fields, and to use these models to study the guest molecules in metal-organic frameworks and template molecules in
the pre-nucleation phase of zeolite synthesis.