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.

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.

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.

Dr. Liu’s presentation, titled “Advancing the Semiconductor Industry Through Multiscale Materials Simulation – A Materials Design Perspectiv

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

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

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.

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

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

MedeA VASP Training: Experience the ease with which atomistic models may be constructed and VASP simulations may be launched, monitored, and

Dr. Mavromaras will deliver a presentation titled “Advancing Battery Technology with Modeling Insights: From Active Materials to Cell"...

Webinar: From the Femtoscale to the Mesoscale and Back: An Integrated Multiscale Approach #engineering #compchem

The partnership will connect MedeA Environment outputs to ICMD® models to provide common clients with the most accurate predictive and presc

Upcoming Webinar Polyvalent Machine-Learned Potential for Cobalt: from Bulk to Nanoparticles In this webinar we describe the development...