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

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

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

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

Accelerating Materials Innovation: Connecting Quantum Simulations, Machine Learning, and Mesoscale Modeling to Speed Up Materials Research

AI and machine learning are penetrating materials computer simulations at a staggering pace. In particular, high-throughput generation of...

Materials Design Announces the Release of MedeA 3.8 “Micro to Macro”! Materials Design is delighted to announce the latest release of its...

4-7 December 2023 Kruger National Park Skukuza Rest Camp MedeA Software Training 4 December 2023, David Reith, Alexander Mavromaras...

Materials Design Announces the Release of MedeA 3.7, Material Performance! Materials Design announces the release of MedeA 3.7 the latest...

Materials Design’s State-of-the-Art Tools Supporting Tomorrow’s Energy Solutions: Controlled Fusion

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

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...

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