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Katherine Hollingsworth
Jan 102 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...
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Katherine Hollingsworth
Jan 104 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...
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Katherine Hollingsworth
Dec 18, 20248 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
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Katherine Hollingsworth
Nov 12, 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
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Katherine Hollingsworth
Sep 9, 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.
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Katherine Hollingsworth
May 24, 20245 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
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Katherine Hollingsworth
Jan 29, 20242 min read
Revolutionizing Materials Research: Machine-Learned Interatomic Potentials Unleash the Power of Computational Innovation
AI and machine learning are penetrating materials computer simulations at a staggering pace. In particular, high-throughput generation of...
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Katherine Hollingsworth
Dec 5, 20234 min read
MedeA Software Release MedeA 3.8 -- Micro to Macro!
Materials Design Announces the Release of MedeA 3.8 “Micro to Macro”! Materials Design is delighted to announce the latest release of its...
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Katherine Hollingsworth
Nov 27, 20232 min read
MedeA Software Training at the South African CHPC National Conference 2023
4-7 December 2023 Kruger National Park Skukuza Rest Camp MedeA Software Training 4 December 2023, David Reith, Alexander Mavromaras...
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Katherine Hollingsworth
Apr 27, 20232 min read
MedeA Software Release MedeA 3.7 -- Material Performance!
Materials Design Announces the Release of MedeA 3.7, Material Performance! Materials Design announces the release of MedeA 3.7 the latest...
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Katherine Hollingsworth
Jan 19, 20233 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
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Katherine Hollingsworth
Dec 8, 20223 min read
MedeA Software Release MedeA 3.6 -- Material Impact!
MedeA 3.6 - highly integrated machine learning methods that extend 'ab initio' accuracy to mesoscale system sizes and time scales...battery
578 views0 comments
Katherine Hollingsworth
Oct 25, 20222 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...
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Katherine Hollingsworth
Oct 16, 20224 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...
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Katherine Hollingsworth
Oct 12, 20221 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...
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Katherine Hollingsworth
Oct 10, 20222 min read
Wednesday's UGM Webinar: Atomistic Simulations with High-Dimensional Neural Network Potentials
UGM Plenary Speaker Spotlight This week, we host Jörg Behler; Full Professor of Theoretical Chemistry University of Göttingen, Germany...
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Katherine Hollingsworth
Sep 30, 20223 min read
Tuesday's UGM Webinar: Materials Innovations for Chemical Separations
Jeffrey Grossman; Department Head of Materials Science and Engineering at the Massachusetts Institute of Technology
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Katherine Hollingsworth
Sep 14, 20223 min read
Upcoming Webinar: Radionuclide Sequestration in MOFs
Radionuclide Sequestration in MOFs: DFT Method Exploration and a Conceptualization of Graph Neural Networks This webinar will be focused...
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Katherine Hollingsworth
Jul 13, 20223 min read
MedeA Software Release MedeA 3.5 -- Make Your Work Flow!
Materials Design Announces the Release of MedeA 3.5, 'Make Your Work Flow!'. Materials Design is delighted to announce a new release of...
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Katherine Hollingsworth
Dec 20, 20213 min read
MedeA Software Release MedeA 3.4 -- Material Control!
Materials Design, Inc. Announces the Release of MedeA 3.4, 'Material Control'. MedeA 3.4 includes groundbreaking Machine-Learned...
817 views0 comments
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