With its multiscale chemistry simulation, Simcenter is the leader in accurately modeling formulation properties. Offering a complete suite of tools that enable the simulation of complex mixtures at all scales, it offers the possibility to predict both chemical and physical properties for real-life applications from the design to the production process.
Formulations
Model complex mixtures at all scales
Formulations
With its multiscale chemistry simulation, Simcenter is the leader in accurately modeling formulation properties. Offering a complete suite of tools that enable the simulation of complex mixtures at all scales, it offers the possibility to predict both chemical and physical properties for real-life applications from the design to the production process.
Predict chemical and physical properties for real-life applications
Multiphase Systems
With its powerful coarse-grained implementation, Simcenter is the superior solution in multiphase modeling. Taking advantage of automated parameterization and coarse-graining applications, researchers are able to develop complex models of dozens of different molecules. The versatility of the interface empowers engineers to quickly create very complex multiphase systems and address their quality and performance. With the help of recognized methodologies that assess interfacial and solubilization properties, Simcenter offers the possibility to get insights into the stability of various systems, from a simple micro-emulsion, to the most complex liposome configuration.
Polymers
Simcenter contains all required tools to easily and automatically design a digital twin of any type of polymer formulation through multiscale modeling. Polymer properties can be calculated on various length and time scales: from crystallization and reactions on the atomistic level up to the morphology of phase separated polymer blends on the micrometer scale. Formulations can be optimized using a Design of Computations, where a large set of polymer combinations is automatically screened on the desired properties using high performance computing.
Solutions
Changing regulations and novel discoveries usually force engineers to redevelop their formulations, especially in the Personal Care industry. Properly assessing the stability, efficiency, and toxicity of a new solution is a complex and expensive task. Simcenter offers a complete platform, empowering researchers to quickly develop and test their novel formulations. With automated parameterization and a molecular generator, researchers can design and rapidly model their innovative solutions and assess them from start to finish to quickly react to change and explore the chemical space.
