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)...
top of page
Katherine Hollingsworth
- Jan 19
- 3 min
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
114 views0 comments
Katherine Hollingsworth
- Jan 12
- 1 min
The Structural Phase Transition in Ti Investigated Using a Machine-learned Interatomic Potential
New MedeA Application Note Because of its stability, corrosion resistance, and high strength-to-weight ratio titanium is of great...
93 views0 comments
Ken Roberts
- Dec 20, 2022
- 1 min
Happy Holidays from Materials Design!
Best Wishes for a happy and safe holiday season and a prosperous new year!
31 views0 comments
Katherine Hollingsworth
- Dec 8, 2022
- 3 min
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
294 views0 comments
Katherine Hollingsworth
- Nov 10, 2022
- 1 min
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...
36 views0 comments
Ken Roberts
- Oct 28, 2022
- 1 min
Happy Halloween!
Here is a seasonally colored iso-contour through the electrostatic potential of a single Hydrogen Fluoride (HF) molecule, as calculated...
14 views0 comments
Katherine Hollingsworth
- Oct 25, 2022
- 2 min
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...
8 views0 comments
Katherine Hollingsworth
- Oct 16, 2022
- 4 min
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...
66 views0 comments
Katherine Hollingsworth
- Oct 12, 2022
- 1 min
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...
22 views0 comments
Katherine Hollingsworth
- Oct 10, 2022
- 2 min
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...
24 views0 comments
Katherine Hollingsworth
- Sep 30, 2022
- 3 min
Tuesday's UGM Webinar: Materials Innovations for Chemical Separations
Jeffrey Grossman; Department Head of Materials Science and Engineering at the Massachusetts Institute of Technology
16 views0 comments
Katherine Hollingsworth
- Sep 14, 2022
- 3 min
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...
38 views0 comments
Katherine Hollingsworth
- Aug 23, 2022
- 1 min
Special Offer for MedeA Customers
MSI Eureka - 50% off the cost of licenses to this powerful database Optimize your R&D using high-quality experimental phase diagrams to...
79 views0 comments
Katherine Hollingsworth
- Jul 13, 2022
- 3 min
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...
380 views0 comments
Katherine Hollingsworth
- Jul 6, 2022
- 2 min
Upcoming Webinar: Lessons Learned Solving Industrial Problems
Practical application discussions using atomic-scale computations in metallurgy, batteries, and CO2 capture This webinar is designed to...
36 views0 comments
Katherine Hollingsworth
- Jun 30, 2022
- 1 min
Publication: Machine Learning for Metallurgy: A Neural-Network Potential for Zirconium
Machine Learning for Metallurgy: A Neural-Network Potential for Zirconium For an accurate description of metals and their alloys it is...
155 views0 comments
Katherine Hollingsworth
- Jun 28, 2022
- 3 min