Discover how automated high-throughput Molecular Dynamics (MD) and Monte Carlo (MC) workflows enable accurate prediction of gas sorption, isotherms, and polymer swelling in industrial polymer systems. This webinar demonstrates how molecular simulations accelerate material selection, membrane and packaging design, and process optimization while reducing experimental screening effort and time-to-results.

Join this webinar to see how highly efficient software such as VASP, unprecedented compute power, and intuitive multiscale modeling have made computational materials science central to R&D. Learn how these tools can optimize electronic devices, engineer organic–inorganic interfaces, unravel reaction mechanisms, study hydrogen diffusion, tailor polymer properties, and predict stress in PVD-grown thin films.

This session will focus specifically on MedeA GIBBS, a powerful Monte Carlo simulation engine that employs state-of-the-art techniques and methods to compute material properties. Participants will be introduced to the advanced capabilities of this tool and learn how to leverage them for accurate property calculations.