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
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Katherine Hollingsworth
Jan 292 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, 20232 min read
A Study of VASP Simulations in Semiconductors: from Materials Engineering to Band Alignment
Upcoming Webinar A Study of VASP Simulations in Semiconductors: from Materials Engineering to Band Alignment In this webinar, Dr. Xiaoli...
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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
Feb 3, 20231 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...
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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
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Katherine Hollingsworth
Jan 23, 20233 min read
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)...
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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
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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