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.

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.

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

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

This significant work explores the innovative application of machine-learned potentials (MLPs) to improve the accuracy and efficiency of pr

DCS Computing GmbH and Materials Design, Inc. Announce Collaboration

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

Understanding and Predicting Hydrogen Embrittlement in Metals Demonstrates the Predictive Power of MLPs for Complex Metallurgical Phenomena

University of Kazan Develops Highly Accurate Machine-Learned Potential (MLP) for Aluminum Using n2p2 Methodology in MedeA MLPG

Materials Design Scientists, Michele Kotiuga and Volker Eyert invited as working-group members of the Psik Network

Dr. René Windiks has been invited to speak at the online event, "Solid-State Batteries: Innovations, Promising Start-Ups, & Future...

Please join University of Washington Professor Bruce Eichinger and Materials Design Chief Scientific Officer Dr. Erich Wimmer for an...

MedeA in Publication: Influence of Quantum Oscillations in the Thermal Scattering Law of Zirconium Carbide on Neutron Thermalization and Cri