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.

ACEworks  and Materials Design are rolling forward their successful collaboration with the full integration of the GRACEmaker code of ACEworks in the MedeA  computational environment. The GRACEmaker code is based on the Graph Atomic Cluster Expansion (GRACE), one of the most advanced methods for the generation of Machine-Learned Potentials (MLPs). MedeA 3.12  provides comprehensive support of the leading GRACE 1L and 2L potentials in MedeA  LAMMPS . This includes access to t

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.

Materials Design announces MedeA 3.12, materials simulation environment, delivering a revolutionary integration of machine learning capabilities that transform materials modeling workflows. The MedeA 3.12 release establishes a comprehensive machine-learned potential ecosystem spanning training, refinement, deployment, and analysis, while introducing powerful new builders for complex microstructures and enhanced tools for materials discovery.

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.

This webinar will provide the tools and insights to enhance your polymer research and design using molecular modeling and data science

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.

Materials Design announces MedeA 3.11, delivering significant performance improvements and expanded capabilities to accelerate materials modeling and simulation workflows. The MedeA 3.11 release enhances visualization performance, upgrades key computational engines, and introduces new analysis tools to meet the evolving needs of materials scientists and engineers.

Most Viewed Article: Volumetric and Energetic Properties of Polystyrene and Polyethylene Oxide Affected by Thermal Cycling - Congratulations to Benoit Minisini

Join Materials Design on May 20, 2025, for an online MedeA High-Throughput Training session. This 4-hour session will guide participants through MedeA’s powerful high-throughput capabilities, covering topics such as structure databases, mechanical properties of ceramics, melting point determination, and polymer property calculations. Whether you're a beginner or experienced user, this session offers hands-on practice, expert guidance, and valuable insights to master MedeA's a

The webinar explores how materials modelers can use multiscale computations to advance nuclear fusion.

Materials Design announces the launch of the Fusion Alliance, a global collaboration aimed at advancing multiscale materials modeling

The study explores the use of tantalum (Ta) doping to improve the performance and stability of LiNi0.80Mn0.1Co0.1O2 (NMC811) cathode mate...

This webinar will provide the tools and insights to enhance your polymer research and design using molecular modeling and data science

MedeA VASP makes it easy to analyze and understand chemical bonding. By leveraging the integrated MedeA Environment you can quantify the...

At-a-Glance: MedeA Flowcharts make it easy to design and conduct systematic computational materials science studies with a visual...

MedeA 3.10 offers an integrated suite of multiscale modeling capabilities with advanced features that empower researchers to explore and des

Upcoming MedeA VASP Training Materials Design announces an online training session featuring MedeA, the industry-leading atomistic...

Polypropylene straws survive in the environment for decades, endanger wildlife, and eventually release harmful chemicals as they decompose.

Materials Design presents an interview with a pioneer in computational materials design: Prof. Gregory B. Olson