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Martijn Marsman from the University of Vienna and Erich Wimmer from Materials Design present:

VASP, Machine Learning, and Multi-Scale Physics: Defining the State of the Art in Materials Modeling

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MedeA Environment

The Most Comprehensive Atomistic Modeling and Simulation Software for Materials Science

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.

Trusted by thousands of users in over 700 commercial, government, and academic institutions.
Cheering Crowd

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.
-Michael L. Zerkle, Ph.D., Senior Advisor,
Reactor Physics Methods Development,
Naval Nuclear Laboratory
“I like MedeA, it gives me more time to think.”

-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

Hiring: Support and Application Scientist

We are seeking a Support and Application Scientist with expertise in computational materials

science and classical molecular dynamics to join our dynamic and growing team!


Software Release: MedeA 3.5 - Make Your Work Flow!

MedeA 3.5 features a new Flowchart interface for constructing automated simulation protocols to carry out high-throughput simulations with the desired level of sophistication. Additional enhancements include a fully integrated VASP 6.3 interface with access to a broad range of #VASP capabilities, and extensive analysis and infrastructural enhancements...


WEBINAR: VASP, Machine Learning, and Multi-Scale Physics: Defining the State of the Art in Materials Modeling

 This webinar will provide a glimpse into the underlying implementations for high-performance computing environments, and it will demonstrate the seamless integration of VASP in the workflows of the multi-scale materials modeling environment MedeA. By making...


New Publication

Machine Learning for Metallurgy: A Neural-Network Potential for Zirconium


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