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Project

Development of force fields to design tailor made organosilica materials

Output en outcomes

Code

3F023313

Looptijd

01-10-2013 → 30-09-2017

Financiering

Regional and community funding: Special Research Fund, Research Foundation - Flanders (FWO)

Promotor

Veronique Van Speybroeck

Fellow

Steven Vandenbrande

Onderzoeksdisciplines

Natural sciences
- Atomic and molecular physics

Trefwoorden

krachtvelden organosilica moleculaire dynamica

Projectomschrijving

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.

English

Dutch

English

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