Simcenter CULGI
Use multiscale computational chemistry simulations to design novel materials with targeted properties across their entire lifecycle.
Benefits
Engineer better materials with multiscale computational chemistry simulations
Early-stage virtual screening drives innovation in chemical and process industries. Simcenter Culgi offers a unified digital platform to design new materials from inception through process development, logistics, and market analysis.
Model complex mixtures from quantum mechanics to mesoscale
Simcenter Culgi accelerates multiscale chemistry simulations spanning molecular to macro scales, so you can model complex systems faster and design lower-carbon products.
Predict chemical and physical properties for real-life applications
Simcenter Culgi accelerates materials innovation across specialty chemicals, energy storage, pharma, personal care and cosmetics by virtually screening drug formulations, green solvents, battery membranes, oil-recovery mixtures, tougher automotive materials and lightweight, heat-resistant composites.
Capabilities
Formulations
Simcenter Culgi leverages multiscale chemistry simulation to lead in accurate formulation modeling—predicting chemical and physical properties from molecular design through production. Tap its complete suite to simulate complex mixtures at every scale, ensuring your innovations translate seamlessly from lab to market.
Multiphase systems
Simcenter Culgi’s advanced coarse-grained framework automates parameterization and model building for complex multiphase systems—handling dozens of molecular species with ease—and, through validated interfacial and solubilization methodologies, delivers robust stability insights from simple micro-emulsions to intricate liposome architectures.
Polymers
Automatically generate multiscale digital twins of polymer formulations calculating properties from atomistic crystallization and reaction kinetics to micrometer-scale blend morphologies and optimize formulations via HPC-driven Design of Computations that screens extensive polymer combinations in one seamless workflow.
Solutions
Simcenter Culgi accelerates personal-care formulation redevelopment by automating parameterization and molecular generation to rapidly model and assess stability, efficacy and toxicity empowering you to navigate regulatory shifts and explore chemical space end-to-end.
Multiscale modeling
Simcenter Culgi delivers end-to-end multiscale computational chemistry—from quantum to coarse-grained to continuum via automated parameter workflows and a validated library for pinpoint-accurate, high-throughput materials simulations. Connect to HPC or cloud, leverage built-in AI/ML force-field tuning, and integrate with PLM or digital-twin platforms to accelerate formulation screening and innovation.
Coarse-grained simulations
Simcenter Culgi’s integrated auto-mapper and parameterizer automates nano-/micro-structured coarse-grained modeling—from Brownian to DPD—for reactive and charged systems, enabling sub-second formulation screening, slashing R&D costs, and accelerating innovation.
Mesoscopic modeling
Simcenter Culgi’s mesoscopic phase-field suite lets you visually build and optimize polymer blends—mapping diffusion and morphology in complex systems via a drag-and-drop node interface.
Thinking about harnessing GPU-accelerated solvers for real-time parameter sweeps or integrating phase-field outputs into your digital-twin ecosystem? Let’s explore.
Molecular dynamics
Simcenter Culgi lets you build custom molecular-dynamics workflows import existing simulations or start from scratch and auto-generate high-accuracy force fields for polymers, chemicals and formulations tailored to your exact needs.
Quantum chemistry
Accelerate molecular discovery with Simcenter Culgi’s quantum chemistry suite—harness ab-initio methods and the integrated NWChem package to model solids and molecules at the quantum level, unlocking nano-scale interactions and driving macro-scale innovation.