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

Katherine Hollingsworth
Feb 10, 20252 min read


Keynote Speaker: Dr. Shubham Pandey to Speak at the International Conference on Corrosion and Coatings (i3C) 2025
Increasing the nuclear fuel life cycle in commercial reactors is vital for achieving high fuel burnup. However, extending burnup degrades

Katherine Hollingsworth
Feb 5, 20251 min read


MedeA in Publication: Enhancing the Stability and Performance of Ni-Rich Cathode Materials Through Ta Doping: A Combined Theoretical and Experimental Study
The study explores the use of tantalum (Ta) doping to improve the performance and stability of LiNi0.80Mn0.1Co0.1O2 (NMC811) cathode mate...

Katherine Hollingsworth
Feb 5, 20251 min read


MedeA in Publication: A Study Using MedeA for Reliable Prediction of Glass Transition Temperatures of Epoxy Resins
Hexcel Composites Ltd., an innovation leader in composite materials, needs rapid access to the properties of thermoset polymers. In collabor

Katherine Hollingsworth
Feb 5, 20251 min read


Webinar: Introducing Tailored Polymer Design: Harnessing Molecular Modeling & Data Science
This webinar will provide the tools and insights to enhance your polymer research and design using molecular modeling and data science

Katherine Hollingsworth
Jan 23, 20253 min read


Exploring Delocalized Bonding in Benzene with MedeA VASP: A Powerful Tool for Analyzing Chemical Systems
MedeA VASP makes it easy to analyze and understand chemical bonding. By leveraging the integrated MedeA Environment you can quantify the...

Katherine Hollingsworth
Jan 10, 20252 min read


Easily Create and Publish Materials Simulation Custom Protocols with MedeA Flowcharts
At-a-Glance: MedeA Flowcharts make it easy to design and conduct systematic computational materials science studies with a visual...

Katherine Hollingsworth
Jan 10, 20254 min read


MedeA Software Release MedeA 3.10 -- Multiscale!
MedeA 3.10 offers an integrated suite of multiscale modeling capabilities with advanced features that empower researchers to explore and des

Katherine Hollingsworth
Dec 18, 20248 min read


Upcoming: MedeA VASP Training - Did You Miss the First Training?
Upcoming MedeA VASP Training Materials Design announces an online training session featuring MedeA, the industry-leading atomistic...

Katherine Hollingsworth
Dec 6, 20242 min read


Materials Design to Present at 2024 MRS Fall Meeting in Boston, MA
Machine-Learned Potentials for Studying Corrosion, Embrittlement, and Phase Transitions in Zirconium”, will demonstrate the powerful capabil

Katherine Hollingsworth
Dec 3, 20242 min read


A Dual-cutoff Machine-learned Potential for Condensed Organic Systems Obtained via Uncertainty-guided Active Learning
This significant work explores the innovative application of machine-learned potentials (MLPs) to improve the accuracy and efficiency of pr

Katherine Hollingsworth
Nov 12, 20242 min read


The MedeA AI Platform for Materials Science - Leading the Way in Materials Innovation
In this article, we explore the impact of artificial intelligence (AI) on computational materials science and describe the evolution of...

Katherine Hollingsworth
Oct 8, 20244 min read


Announcing the Online 2024 Materials Design MedeA User Group Meeting (UGM)
Registrations are Open for the Online 2024 MedeA User Group Meeting

Katherine Hollingsworth
Oct 1, 20242 min read


DCS Computing GmbH and Materials Design, Inc. Announce Collaboration
DCS Computing GmbH and Materials Design, Inc. Announce Collaboration

Katherine Hollingsworth
Sep 18, 20242 min read


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

Katherine Hollingsworth
Sep 9, 20242 min read


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

Katherine Hollingsworth
Sep 3, 20242 min read


Understanding and Predicting Hydrogen Embrittlement in Metals Demonstrates the Predictive Power of MLPs for Complex Metallurgical Phenomena
Understanding and Predicting Hydrogen Embrittlement in Metals Demonstrates the Predictive Power of MLPs for Complex Metallurgical Phenomena

Katherine Hollingsworth
Aug 27, 20242 min read


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

Katherine Hollingsworth
Aug 23, 20242 min read


Alexander Mavromaras and René Windiks to Represent Materials Design at Oslo Battery Days Conference 2024
Dr. Mavromaras will deliver a presentation titled “Advancing Battery Technology with Modeling Insights: From Active Materials to Cell"...

Katherine Hollingsworth
Aug 9, 20242 min read


Erich Wimmer to Keynote at 5th Aspherix & CFDEM Conference in Vienna
Erich Wimmer to Keynote at 5th Aspherix & CFDEM Conference in Vienna

Katherine Hollingsworth
Jun 25, 20241 min read
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