Calculs à Haut Débit
dans l’Environnement Logiciel MedeA

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 600 commercial, government, and academic institutions.

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

Materials Design is Hiring

  • Research and Development Position for Microstructure Modeling

  • Support and Application Scientist

Learn more about these positions...


WEBINAR: Calculs à Haut Débit
dans l’Environnement Logiciel MedeA

Assistez à ce webinaire pour apprendre:


-Comment les calculs haut débit dans l’environnement de MedeA peuvent accélérer vos recherches d’exploration de l’espace des matériaux possibles

-Ce que les calculs haut débit avec MedeA peuvent vous apporter dans vos recherches quotidiennes, pour optimiser votre temps et améliorer votre efficacité

-Comment les résultats des calculs haut débit dans MedeA sont utilisés pour accroitre encore plus leur valorisation...



Publication: Quantitative Kinetic Model of CO2 Absorption in Aqueous Tertiary Amine Solvents,

The April issue of the ACS Journal of Chemical Information and Modeling features a cover story from Xavier Rozanska, Erich Wimmer of Materials Design, and Frédérick de Meyer of Total S.E. The paper, “Quantitative Kinetic Model of CO2 Absorption in Aqueous Tertiary Amine Solvents,” presents an accurate computational approach identifying tertiary amines for CO2 capture. The paper describes...


Recent MedeA VASP Training

In this hands-on training session, Dr. David Reith will demonstrate the intuitive graphical user interface for running advanced ab-initio simulations by:

  • Calculating the heats of formation of silicon-carbide with various functionals.

  • Accurately calculating the GaAs band gap.

  • Using MedeA VASP to calculate the color of cadmium selenide and cadmium sulfide


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