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Materials Design Releases MedeA 3.12 —Train.Deploy.Discover
Materials Design announces MedeA 3.12, materials simulation environment, delivering a revolutionary integration of machine learning capabilities that transform materials modeling workflows. The MedeA 3.12 release establishes a comprehensive machine-learned potential ecosystem spanning training, refinement, deployment, and analysis, while introducing powerful new builders for complex microstructures and enhanced tools for materials discovery.
Katherine Hollingsworth
Dec 22, 20256 min read


Webinar: Precision at Scale with Machine-Learned Potentials
Join this webinar and explore how MLPs extend DFT accuracy to large, complex systems and long time scales. Learn how MedeA’s MLP Generator streamlines training, enables advanced materials-property predictions, and supports real-world research in corrosion, phase stability, defects, and catalysis. Ideal for scientists and engineers in multiscale modeling.
Katherine Hollingsworth
Dec 5, 20252 min read


Webinar: Accessing the Mesoscale with Phase-field Modeling
This webinar will provide the tools and insights to enhance your polymer research and design using molecular modeling and data science
Katherine Hollingsworth
Nov 16, 20252 min read


MedeA GIBBS Training
This session will focus specifically on MedeA GIBBS, a powerful Monte Carlo simulation engine that employs state-of-the-art techniques and methods to compute material properties. Participants will be introduced to the advanced capabilities of this tool and learn how to leverage them for accurate property calculations.
Katherine Hollingsworth
Jun 16, 20252 min read


Materials Design Releases MedeA 3.11 —Accelerating Discovery
Materials Design announces MedeA 3.11, delivering significant performance improvements and expanded capabilities to accelerate materials modeling and simulation workflows. The MedeA 3.11 release enhances visualization performance, upgrades key computational engines, and introduces new analysis tools to meet the evolving needs of materials scientists and engineers.
Katherine Hollingsworth
May 20, 20254 min read


Most Viewed Article: Volumetric and Energetic Properties of Polystyrene and Polyethylene Oxide Affected by Thermal Cycling - Congratulations to Benoit Minisini
Most Viewed Article: Volumetric and Energetic Properties of Polystyrene and Polyethylene Oxide Affected by Thermal Cycling - Congratulations to Benoit Minisini
Katherine Hollingsworth
Apr 30, 20251 min read


MedeA High-Throughput Training
Join Materials Design on May 20, 2025, for an online MedeA High-Throughput Training session. This 4-hour session will guide participants through MedeA’s powerful high-throughput capabilities, covering topics such as structure databases, mechanical properties of ceramics, melting point determination, and polymer property calculations. Whether you're a beginner or experienced user, this session offers hands-on practice, expert guidance, and valuable insights to master MedeA's a
Katherine Hollingsworth
Apr 24, 20252 min read


Webinar: Unlimited Energy? Materials Modeling for Nuclear Fusion
The webinar explores how materials modelers can use multiscale computations to advance nuclear fusion.
Katherine Hollingsworth
Apr 1, 20252 min read


Materials Design announces Alliance for Multiscale Materials Modeling in Fusion Energy
Materials Design announces the launch of the Fusion Alliance, a global collaboration aimed at advancing multiscale materials modeling
Katherine Hollingsworth
Feb 18, 20252 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


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


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 2, 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


MedeA Software Release MedeA 3.9 -- Materials Acceleration!
Accelerating Materials Innovation: Connecting Quantum Simulations, Machine Learning, and Mesoscale Modeling to Speed Up Materials Research
Katherine Hollingsworth
May 24, 20245 min read
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