Virtual screening of novel materials in an early stage of development is a key enabler of innovation in the chemical and process industries. Simcenter Culgi helps product development and material scientists to design new materials with the desired properties along the complete life cycle from inception, to process development, logistics, and market analysis on a digital platform. Simcenter Culgi covers all aspects of multiscale simulations in chemistry, crossing relevant length and time scale so that scientists can model all properties related to materials and processes, not only on a macroscopic level but all the way down to the molecular level through chemical interactions. Simcenter Culgi is used by companies to accelerate materials development in domains such as specialty chemicals, energy storage, pharmaceuticals, personal care, and cosmetics. Examples of applications include: discovering interactions between drug formulations to safely produce medicines; screening of green solvents for chemical manufacturing to improve sustainability; inventing durable polymer membranes for batteries and fuel cells; finding more effective chemical mixtures for oil recovery; improving impact strength of materials for automotive components and designing lightweight and temperature resistant composites and adhesives.

Computational Chemistry
Simcenter provides industry leading computational chemistry software for fast and accurate prediction of physico-chemical properties of complex mixtures. With its unique architecture, engineers have the ability to model systems from the quantum to the mesoscale in one solution, offering a fast and accurate digital representation of their systems’ material formulation.

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

Multiscale Modeling
To enable materials innovation in today’s face-paced environment, access to a computational chemistry software covering the entire hierarchy of material scales is essential. Simcenter uniquely includes all relevant aspects of computational chemistry: from quantum to molecular and coarse-grained modeling, to informatics and thermodynamics.  It enables realistic models for simulations through scripted workflows that facilitate a data flow of parameters from quantum models all the way to the continuum level. This, combined with a comprehensive computational library, ensures that physical parameters are derived with great accuracy and enables materials innovation across all length and time scales.