Innovations in machine learning, materials informatics, microstructure construction tools, and the latest developments in density functional theory.
SAN DIEGO, Dec. 14, 2023 /PRNewswire/ — Materials Design is delighted to announce the latest release of its world-leading materials simulation MedeA Environment. The MedeA 3.8 release features a wide range of enhancements: from machine learning and materials informatics to microstructure construction tools and the latest innovations in density functional theory.
Dr. Erich Wimmer, Chief Scientific Officer and Chairman of the Board at Materials Design, said of the new MedeA release:
“In the context of Materials Design’s machine learning offering, MedeA 3.8 provides access to VASP 6.4.2, extensive access to VASP’s machine-learning force field (MLFF) capabilities (which takes ab initio molecular dynamics calculations to the next level) together with many additional enhancements. We are particularly excited to announce the availability of the “Polymer Expert” de novo design module in MedeA 3.8.“
MedeA Polymer Expert was developed in collaboration with Dr Jozef Bicerano, the author of the well-known P3C polymer property method. It allows you to find materials with desired properties in a repeat unit space containing well over one million entries. As integrated into the MedeA Environment, the Polymer Expert is extremely efficient and intuitive.
A list of major enhancements in the MedeA 3.8 release is provided at MedeA Software Release MedeA 3.8 — Micro to Macro! (materialsdesign.com).
Dr. Wimmer added, “It has been a delight to see the development of MedeA over the years, and MedeA 3.8 is particularly satisfying to me. We have extended and enhanced many capabilities that Materials Design provides access to. These are cutting-edge methodologies developed by the world’s leading researchers, empowering customers to achieve diverse objectives in materials science. We serve chemists, physicists, engineers, and materials scientists who are discovering bio-derivable polymers, improving batteries, optimizing processes and energy sources, and obtaining a host of materials insights along the way. Our customers consistently express their enthusiasm for the productivity the MedeA Environment offers and the scientific support the entire Materials Design team provides.”
About Materials Design
Materials Design, Inc. is the leading atomistic simulation software and services company for materials. Materials Design help customers across many diverse industries design and optimize materials and processes, predict materials properties, and generate value through innovation. The company is dedicated to providing efficient access to the world’s leading atomistic and electronic scientific simulation methods.
MedeA is Materials Design’s advanced software environment for atomistic materials modeling, used by thousands of customers at more than 700 institutions worldwide. Scientists and engineers in industry and research institutions rely on MedeA to simulate materials properties and understand diverse phenomena. MedeA helps users to create better products while saving valuable research and development time and cost.
MedeA integrates world-leading structural databases (totaling over 980,000 entries), electronic structure programs (VASP, Gaussian, MOPAC), molecular dynamics (LAMMPS) and Monte Carlo methods (GIBBS) with a host of powerful building, editing, and analysis tools in a unified environment allowing the creation of efficient workflows. Its innovative high-throughput (HT) capabilities enable the exploitation of computational resources.
SOURCE Materials Design, Inc