Getting to know the MedeA Software Environment
Witness live the MedeA Environment in action!
In the first part of this training session, Dr. Taylor Juran will walk you through a live demonstration of the basics of the MedeA Environment, retrieving structures with MedeA InfoMaticA, building surfaces with MedeA Surface Builder, setting up a quick VASP calculation, and examining results on the JobServer and TaskServer. Dr. Marianna Yiannourakou will provide an overview of how to perform sorption simulations, using MedeA GIBBS.
The second part of the training session is dedicated to answering your questions that are raised during the webinar and the demonstration of MedeA features.
Tutorials
Introduction to MedeA LAMMPS: Learn how to set up and run LAMMPS molecular dynamics simulations with MedeA
Introduction to MedeA GIBBS: Learn how to set up and run GIBBS Monte Carlo simulations with MedeA
Introduction to MedeA MOPAC: Learn how to set up and run MOPAC semi-empirical calculations with MedeA
Introduction to MedeA Gaussian: Learn how to set up and run Gaussian molecular orbital theory calculations with MedeA
Downloads
Senior Director of Product Management
Dr. Marianna Yiannourakou is the Senior Director of Product Management at Materials Design, where she leads strategic product development initiatives leveraging her expertise in property prediction of fluids and soft matter systems through classical molecular simulations. She holds a PhD from the National Technical University of Athens, Greece, focused on soft materials using coarse-grained simulations.
