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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 51 min read
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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 102 min read
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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 104 min read
109 views
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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
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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
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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
41 views
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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
57 views
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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
352 views
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Webinar: From the Femtoscale to the Mesoscale and Back: An Integrated Multiscale Approach
Webinar: From the Femtoscale to the Mesoscale and Back: An Integrated Multiscale Approach #engineering #compchem
Katherine Hollingsworth
May 8, 20242 min read
144 views
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QuesTek and Materials Design, Inc. Announce Collaboration Partnership
The partnership will connect MedeA Environment outputs to ICMD® models to provide common clients with the most accurate predictive and presc
Katherine Hollingsworth
Apr 25, 20242 min read
237 views
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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
54 views
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A Report on the Advanced Simulation Engineering Tool
A recent report details the extraordinary work carried out at the Idaho National Laboratory (INL) High Performance Computing (HPC)...
Katherine Hollingsworth
Jan 23, 20233 min read
362 views
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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
419 views
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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
174 views
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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
46 views
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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...
Katherine Hollingsworth
Oct 10, 20222 min read
42 views
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Tuesday's UGM Webinar: Materials Innovations for Chemical Separations
Jeffrey Grossman; Department Head of Materials Science and Engineering at the Massachusetts Institute of Technology
Katherine Hollingsworth
Sep 30, 20223 min read
29 views
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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...
Katherine Hollingsworth
Sep 14, 20223 min read
79 views
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