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.
Materials Design is the exclusive distributor of commercial VASP
“An industrially supported, compiled, and tested form of VASP is part of the Materials Design atomistic modeling and simulation software, the MedeA Environment. Integrated with the world's leading structural databases, MedeA offers VASP users a comprehensive software platform for large-scale computational materials science and engineering.”
- Univ. Prof. Dr. Georg Kresse, VASP Gmbh
Trusted by thousands of users in over 700 commercial, government, and academic institutions.
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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.
-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
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What's New
MedeA VASP Training
Experience the ease with which atomistic models may be constructed and VASP simulations may be launched, monitored, and the results analyzed. Learn how to utilize recent VASP implementations such as machine-learned force field calculations (MLFF), and electronic structure calculations with the dielectric-dependent hybrid functionals (DDH) and doubly screened hybrid (DSH) functionals.
QuesTek and Materials Design, Inc. Announce Collaboration Partnership
The partnership will connect MedeA Environment outputs to ICMD® models to provide common clients with the most accurate predictive and prescriptive materials designs and compositions available. Noteworthy solution targets include mitigating severe degradations, such as those causing hydrogen embrittlement in green energy alternatives and those related to tritium in emerging fusion energy applications...
Polyvalent Machine-Learned Potential for Cobalt: from Bulk to Nanoparticles
In this webinar we describe the development of a highly accurate machine-learned potential (MLP) for Co, enabling simulations of large models of bulk material, surfaces, and nanoclusters over extended time scales across a wide range of temperatures and pressures. While non-magnetic itself, the MLP is trained on several thousand spin-polarized ab initio computations performed using MedeA VASP. The resulting MLP closely reproduces the phonon dispersions of hexagonal close-packed (hcp) and face-centered cubic (fcc) Co, Co surface energies, and the relative stabilities of Co nanoparticles of various shapes. The thermal expansion coefficient and the melting temperature of Co computed with this MLP are close to experimental values. Furthermore, this MLP captures nuanced material properties such as vacancy formation energies on nanoparticle vertices. This accuracy and versatility make the potential suitable for a wide array of applications, including modeling the geometry of Co catalytic surfaces.
New Application Note: The structural Phase Transition in Ti Investigated Using a Machine-learned Interatomic Potential
This application note describes the generation of a machine-learned potential (MLP) using the highly automated MedeA Machine-Learned Potential Generator (MLPG). Our MLPG inputs a training set consisting of results from a set of MedeA VASP calculations selected by the user and generates a machine-learned potential for use with MedeA LAMMPS...
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