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Materials Design UGM Plenary Speaker
On Demand

University of Vienna

The Random Phase Approximation: A Practical Method Beyond DFT

Professor Georg Kresse


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MedeA is the leading environment for the atomistic simulation of materials. MedeA enables professional, day-to-day deployment of atomic-scale and nano-scale computations for materials engineering, materials optimization and materials discovery. In MedeA, world-class simulation engines are integrated with elaborate property prediction modules, experimental databases, structure builders and analysis tools, all in one user-friendly environment.

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Computational material science tools have revolutionized the evaluation of neutron thermal scattering laws.  All of the new thermal scattering laws including in the new US national ENDF/B-VIII.0 nuclear data library were developed using DFT or MD simulations.  The vast majority were developed by MedeA users using VASP, PHONON, and LAMMPS.
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Reactor Physics Methods Development,
Naval Nuclear Laboratory
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-Ryoji Asahi 

Toyota Central Research and Development Laboratories, Nagoya, Japan

We are currently working with industrial partners to improve materials used in photodetectors. MedeA is ideal for what we need, as it allows me to study a wide range of material properties. The interface allows me to simulate what I want to, and the software comes with lots of built in materials which is really helpful. The MedeA support team is also excellent, in case of any problems. I highly recommend MedeA! 

-Dr Jamie Williams, Post Doctoral Research Associate, Department of Physics and Astronomy, 
University of Leicester, United Kingdom

What's New

UGM: Computational Pharmaceutical Science

Speaker Dr. Kevin Gagnon, Vertex Pharmaceuticals Incorporated, USA, joined us for his talk, Computational Pharmaceutical Science: Guiding Experiments in a Sea of Variables.


Modelling Catalyst Deactivation:
Multiscale Modelling of Zeolite Catalysis

This year's Materials Design UGM was online with plenary talks, customer training, posters, roundtables, and discussion forums. Listen to Professor Rutger van Santen's plenary which included a live Q&A.


UGM: Submit a Scientific Talk or Poster

Materials Design's annual User Group Meeting went virtual this year! See the presentations and posters!


The Random Phase Approximation: A Practical Method Beyond DFT

This year's plenary talks are open to everyone! A recording of the talk from Professor Georg Kresse, from the University of Vienna, Austria, is available to watch now.


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