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

This study uses the MedeA software to predict the thermo-mechanical properties of sustainable resins. By combining quantum mechanics and molecular dynamics, MedeA enables accurate simulations of material behavior. The results highlight its reliability and potential in designing eco-friendly polymer systems for both research and industrial applications.

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

MedeA LAMMPS Training: introduces advanced modeling tools & LAMMPS applications.

Increasing the nuclear fuel life cycle in commercial reactors is vital for achieving high fuel burnup. However, extending burnup degrades

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

Hexcel Composites Ltd., an innovation leader in composite materials, needs rapid access to the properties of thermoset polymers. In collabor

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...

Machine-Learned Potentials for Studying Corrosion, Embrittlement, and Phase Transitions in Zirconium”, will demonstrate the powerful capabil

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

In this article, we explore the impact of artificial intelligence (AI) on computational materials science and describe the evolution of...

Registrations are Open for the Online 2024 MedeA User Group Meeting

DCS Computing GmbH and Materials Design, Inc. Announce Collaboration