MedeA software
Reduce costly experimental iterations and accelerate advanced materials research with the MedeA Computational Materials Simulation Environment. Integrating the best available computational methods with user-friendly workflows, the MedeA environment streamlines discovery for researchers and engineers by automating complex calculations, from quantum chemistry, to molecular dynamics, to thermodynamic property prediction.
Access validated engines like VASP, LAMMPS, GIBBS, GAUSSIAN, MOPAC and PhaseField – all in one place. Reduce R&D cycles, accelerate material screening, gain physics-based confidence in your results, and easily share workflows and results. Whether optimizing crystal structures, predicting diffusion pathways, or forecasting mechanical properties, The MedeA platform transforms simulation into actionable engineering insight.
Multiscale modeling
Unlock materials innovation through rigorous computational science. Our computational methods span quantum chemistry, atomistic and mesoscale forcefield simulations, and phasefield modeling. Each approach is grounded in physics-based fundamentals, validated against experimental data, and optimized for industrial relevance. From fuels to batteries and catalysts, multiscale modeling reveals why materials behave as they do, enabling you to predict performance before physical testing.
Atomistic forcefield simulations
Software services
Expert guidance at every stage of your materials simulation journey. Our technical team delivers hands-on training to build team capability, provides consulting for complex challenges, and offers in-depth scientific and technical support to maximize your software investment. Whether you're launching your first simulation study, scaling across departments, or tackling specialized applications, we are here to accelerate your success. Our team of materials scientists combines exceptional expertise with practical problem-solving to ensure you extract maximum value and confidence from your computational results.
Our materials simulation solutions
The MedeA simulation environment streamlines materials research & design.
Multiscale modeling unlocks material value at every scale in one platform.
Expert scientific services drive productivity on your materials simulation journey.
Through contract research, we partner to solve your toughest challenges.
Contract research
Partner with Materials Design for custom research projects tailored to your challenges. Our team of materials scientists and engineers conducts specialized simulations: from exploratory screening to detailed mechanistic analysis. We understand the importance of rapid impact on confidential and time-critical R&D projects, delivering physics-based insights when you need expert guidance. Leverage our deep industry experience across a broad range of industry sectors without needing to build internal infrastructure. From concept to deliverable, we manage technical complexity and logistics, ensuring rigorous methodology and actionable results. Ideal for urgent timelines, specialized expertise, or validating new material concepts.
