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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 162 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 301 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 242 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 12 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 182 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 233 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


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


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


University of Kazan Develops Highly Accurate Machine-Learned Potential (MLP) for Aluminum Using n2p2 Methodology in MedeA MLPG
University of Kazan Develops Highly Accurate Machine-Learned Potential (MLP) for Aluminum Using n2p2 Methodology in MedeA MLPG
Katherine Hollingsworth
Jun 21, 20241 min read


Materials Design Scientists, Michele Kotiuga and Volker Eyert invited as working-group members of the Psi-k Network
Materials Design Scientists, Michele Kotiuga and Volker Eyert invited as working-group members of the Psik Network
Katherine Hollingsworth
Jun 18, 20241 min read


Materials Design Scientist, Dr. René Windiks, to Present at TechBlick’s Online Event Solid-State Batteries: Innovations, Promising Start-Ups, & Future Roadmap
Dr. René Windiks has been invited to speak at the online event, "Solid-State Batteries: Innovations, Promising Start-Ups, & Future...
Katherine Hollingsworth
Jan 17, 20242 min read


On Demand Webinar: A Conversation with Professor Bruce Eichinger, a Pioneer in Computational Polymer
Please join University of Washington Professor Bruce Eichinger and Materials Design Chief Scientific Officer Dr. Erich Wimmer for an...
Katherine Hollingsworth
Feb 3, 20231 min read


MedeA in Publication: Naval Nuclear Lab used MedeA to improve understanding of quantum effects
MedeA in Publication: Influence of Quantum Oscillations in the Thermal Scattering Law of Zirconium Carbide on Neutron Thermalization and Cri
Katherine Hollingsworth
Feb 3, 20231 min read


Materials Design’s State-of-the-Art Tools Supporting Tomorrow’s Energy Solutions: Controlled Fusion
Materials Design’s State-of-the-Art Tools Supporting Tomorrow’s Energy Solutions: Controlled Fusion
Katherine Hollingsworth
Jan 19, 20233 min read


Dr. Benoit Minisini presents a keynote talk at the conference “Matériaux 2022”
Dr. Benoit Minisini presents a keynote talk at the conference “Matériaux 2022” Materials Design research scientist Dr. Benoit Minisini...
Katherine Hollingsworth
Nov 10, 20221 min read


Webinar: Interview with Dr. Jozef Bicerano, a world-expert in polymer modeling
UGM Plenary Speaker Spotlight Tuesday, we host Dr. Jozef Bicerano; founder and President of Bicerano & Associates Consulting, LLC, USA...
Katherine Hollingsworth
Oct 25, 20222 min read


Webinar: Δ-Machine Learning beyond DFT: from phase transitions to quantum paraelectricity & CO...
UGM Plenary Speaker Spotlight Tuesday, we host Dr. Carla Verdi; Faculty at University of Vienna, Austria and Dr. Georg Kresse; Professor...
Katherine Hollingsworth
Oct 16, 20224 min read


Thursday's UGM Training: Generating and Applying Machine-Learned Potentials with MedeA
UGM MedeA Training Generating and Applying Machine-Learned Potentials with MedeA Instructor: Dr. David Reith Density functional theory...
Katherine Hollingsworth
Oct 12, 20221 min read
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