CCL: Announcing consortium for advanced Monte Carlo simulations
- From: "Joseph Tucker" <joe.tucker-
-scienomics.com>
- Subject: CCL: Announcing consortium for advanced Monte Carlo
simulations
- Date: Wed, 5 Oct 2011 10:45:14 -0400
Sent to CCL by: "Joseph Tucker" [joe.tucker(0)scienomics.com]
Scienomics has the pleasure to announce our 'Advanced Monte Carlo Simulations
for Materials Properties' consortium which aims to develop a comprehensive,
generalized and extensible software package offering the most advanced
Monte Carlo schemes.
This tool will enable the application of these sophisticated techniques to
systems which are not handled by current Monte Carlo implementations.
Recent developments in Monte Carlo techniques - and in particular those
related to connectivity altering moves - present a robust approach
to relaxing complex molecular systems and therefore enable reliable
prediction of configurational properties as well as physical properties
such as the chemical potential.
The deliverables from this consortium will boost the use of Monte Carlo
simulations for materials presenting large configuration relaxation times
and will also enable the study of separations and phase equilibria related
problems. Consortium activities will cover needs in a range of industrial
segments: (Coatings, Chemicals, Adhesives, Oil, Packaging, Rubbers,
Electronics, Additives, Personal care, Optics and Cleantech)
and will focus on the following areas:
* Simulations for accurate predictions of polymer properties
* Simulations for phase equilibria and adsorption
* Prediction of the chemical potential of small and medium sized molecules
The consortium activities will start in January 2012.
For more information please contact : info^scienomics.com