Scienomics has announced the 'Advanced Monte Carlo Simulations for Materials Properties' consortium, which aims to develop a software package offering the most advanced Monte Carlo schemes.
This tool will enable the application of these sophisticated techniques to systems that are not handled by the 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 it will also enable the study of separations and phase equilibria related problems.
The 'Advanced Monte Carlo Simulations for Materials Properties' 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; and prediction of the chemical potential of small and medium sized molecules.
