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

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...

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

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

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

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

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

Upcoming Webinar Sorption and Diffusion of Small Gas Molecules in Semicrystalline Models: A Molecular-Scale Investigation In a recent...

Webinar: Advancing Molecular-Scale Modeling: A Novel Approach for Semicrystalline Polymers

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...

Upcoming Webinar A Study of VASP Simulations in Semiconductors: from Materials Engineering to Band Alignment In this webinar, Dr. Xiaoli...

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

Upcoming Webinar The Past, Present, and Future of Forcefield Technologies Forcefields define the interactions between particles in...

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

A Multi-scale Computational Framework for Property Prediction of Fluid Mixtures Leveraging limited experimental data through simulation...