Theoretical modelling of the formation of calcium silicate nanoparticles.

Project Description:

The projct includes both quantum chemical and statistical mechanical modelling of calcium silicate nanoparticles, their surfaces and interfaces with water. The project has focus at the stability and the growth of silicate-based particles and understanding of the process of the setting mechanisms of cement.

The project includes both development of the code (for combined quantum chemistry and statistical mechanical simulations), and applying existent software for the research.

Qualification:

• PhD in the field of theoretical chemistry, or similar fields.
• Strong background in quantum chemistry and statistical mechanics.
• Experience with quantum chemical and statistical mechanical packages.
• Programming skills (Fortran and/or C) and code development in UNIX/Linux environment is essential.
• Knowledge and experience in simulation of solid states, and their surfaces is an advantage. 

The position is open for one year, with possible prolongation for the second year.

The enquiries may be made to Dr. Valera Veryazov (Valera.Veryazov@teokem.lu.se)