top of page


Webinar: High-Throughput Molecular Simulations for Gas Sorption in Polymers: Automated Workflows for Industrial Materials Design
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.

Katherine Hollingsworth
Feb 182 min read


Webinar: Problem Solving in the Golden Age of Computational Materials Science
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.

Katherine Hollingsworth
Jan 202 min read


Webinar: Precision at Scale with Machine-Learned Potentials
Join this webinar and explore how MLPs extend DFT accuracy to large, complex systems and long time scales. Learn how MedeA’s MLP Generator streamlines training, enables advanced materials-property predictions, and supports real-world research in corrosion, phase stability, defects, and catalysis. Ideal for scientists and engineers in multiscale modeling.

Katherine Hollingsworth
Dec 5, 20252 min read


MedeA GIBBS Training
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.

Katherine Hollingsworth
Jun 16, 20252 min read


Webinar: Unlimited Energy? Materials Modeling for Nuclear Fusion
The webinar explores how materials modelers can use multiscale computations to advance nuclear fusion.

Katherine Hollingsworth
Apr 1, 20252 min read


Dr. Xiaoli Liu Presents at CSTIC 2025, Highlighting Advances in Semiconductor Industry
Dr. Liu’s presentation, titled “Advancing the Semiconductor Industry Through Multiscale Materials Simulation – A Materials Design Perspectiv

Katherine Hollingsworth
Mar 22, 20252 min read


Materials Design announces Alliance for Multiscale Materials Modeling in Fusion Energy
Materials Design announces the launch of the Fusion Alliance, a global collaboration aimed at advancing multiscale materials modeling

Katherine Hollingsworth
Feb 18, 20252 min read


Webinar: Introducing Tailored Polymer Design: Harnessing Molecular Modeling & Data Science
This webinar will provide the tools and insights to enhance your polymer research and design using molecular modeling and data science

Katherine Hollingsworth
Jan 23, 20253 min read
bottom of page
