New MedeA Application Note Because of its stability, corrosion resistance, and high strength-to-weight ratio titanium is of great...

Best Wishes for a happy and safe holiday season and a prosperous new year!

MedeA 3.6 - highly integrated machine learning methods that extend 'ab initio' accuracy to mesoscale system sizes and time scales...battery

Dr. Benoit Minisini presents a keynote talk at the conference “Matériaux 2022” Materials Design research scientist Dr. Benoit Minisini...

Here is a seasonally colored iso-contour through the electrostatic potential of a single Hydrogen Fluoride (HF) molecule, as calculated...

UGM Plenary Speaker Spotlight Tuesday, we host Dr. Jozef Bicerano; founder and President of Bicerano & Associates Consulting, LLC, USA...

UGM Plenary Speaker Spotlight Tuesday, we host Dr. Carla Verdi; Faculty at University of Vienna, Austria and Dr. Georg Kresse; Professor...

UGM MedeA Training Generating and Applying Machine-Learned Potentials with MedeA Instructor: Dr. David Reith Density functional theory...

UGM Plenary Speaker Spotlight This week, we host Jörg Behler; Full Professor of Theoretical Chemistry University of Göttingen, Germany...

Jeffrey Grossman; Department Head of Materials Science and Engineering at the Massachusetts Institute of Technology

Radionuclide Sequestration in MOFs: DFT Method Exploration and a Conceptualization of Graph Neural Networks This webinar will be focused...

MSI Eureka - 50% off the cost of licenses to this powerful database Optimize your R&D using high-quality experimental phase diagrams to...

Materials Design Announces the Release of MedeA 3.5, 'Make Your Work Flow!'. Materials Design is delighted to announce a new release of...

Practical application discussions using atomic-scale computations in metallurgy, batteries, and CO2 capture This webinar is designed to...

Machine Learning for Metallurgy: A Neural-Network Potential for Zirconium For an accurate description of metals and their alloys it is...

Materials Design is excited to announce a search for a new colleague who will enhance our Support team and provide solutions to our...

Unravelling the Long-Life, High Capacity, and Ultrafast Charging Mechanisms Behind Mixed Niobium Oxide (XNOTM) Battery Anode Materials...

Computational Carbon Capture Industrial processes sometimes resemble detective stories. Carbon capture is an example of this genre, where...

Open Catalyst Project: The Open Catalyst Project is a collaborative research effort between Facebook AI Research (FAIR) and Carnegie...

Atomistic-scale Simulations of Realistic, Complex, Reactive Materials: The ReaxFF Reactive Force Field and its Industrial and Academic...