Simcenter Culgi software

With its multiscale chemistry simulation, Simcenter Culgi is a leader in accurately modeling formulation properties.

Predict chemical and physical properties for real-life applications from the design to the production process. Access the complete suite of tools that enable the simulation of complex mixtures at all scales.

With its powerful coarse-grained implementation, Simcenter Culgi is the superior solution in multiphase modeling.

Take advantage of automated parameterization and coarse-graining applications: develop complex models of dozens of different molecules. Leverage the interface’s versatility to quickly create very complex multiphase systems, and address quality and performance.

With the help of recognized methodologies that assess interfacial and solubilization properties, get insights into the stability of various systems, from a simple micro-emulsion to the most complex liposome configuration.

Easily and automatically design a digital twin of any type of polymer formulation through multiscale modeling with Simcenter Culgi.

Calculate polymer properties 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. Optimize formulations using a Design of Computations, where a large set of polymer combinations is automatically screened on the desired properties using high-performance computing.

Changing regulations and novel discoveries usually force engineers to redevelop formulations, especially in the personal care industry. Properly assessing the stability, efficiency and toxicity of a new solution is a complex and expensive task.

Quickly develop and test novel formulations with the complete Simcenter Culgi platform. With automated parameterization and a molecular generator, you can design and rapidly model innovative solutions. You can then assess them from start to finish to quickly react to change and explore the chemical space.

Enable materials innovation in today’s face-paced environment by accessing the Simcenter Culgi computational chemistry software, covering the entire hierarchy of material scales.

Simcenter Culgi uniquely includes all relevant aspects of computational chemistry: from quantum to molecular and coarse-grained modeling, to informatics and thermodynamics.

Run 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 lengths and time scales.

With an integrated automatic mapper and parameterization algorithm, Simcenter Culgi is a leader in providing modeling solutions for nano- and micro-structured chemical systems.

By taking away the painstaking task of designing the coarse-grained model, you can screen for novel formulations or materials in a matter of seconds, reduce research and development (R&D) costs and accelerate innovation. This computational chemistry solution covers all common coarse-grained modeling tools ranging from Brownian to dissipative particle dynamics. Model reactive and charged systems without the need of extensive force-field development, further enhancing the R&D processes.

With its unrivaled mesoscopic modeling package, Simcenter Culgi offers a unique way to model complex polymer systems.

Using phase-field models, optimize or discover novel formulations for blends and formulations. Leverage a powerful graphical programming environment to create and study complex molecular architectures and understand better how they diffuse and distribute within their systems, improving the overall production processes.

Design your own workflow or force field by leveraging the extensive suite of molecular dynamics algorithms available in Simcenter Culgi.

Either by importing already made simulations or by developing your own, design and develop novel materials, including polymers, chemicals, formulations and so on. Use molecular dynamics packages to automatically develop your own force fields. Tailor the solution to your specific needs with high accuracy.

Design novel molecules in record time by using the Simcenter Culgi powerful quantum chemical solution.

Coupled with ab-initio methods, Simcenter Culgi provides a complete quantum chemistry platform for you to understand the underlying interaction of your systems while developing novel and innovative materials. It includes the well-known NWChem package to model the quantum behavior of solids and molecules, offering you insights in the nano-mechanisms of systems and a deep understanding of their macroscale behaviors.