The weekly training sessions will provide an opportunity to apply the MedeA Environment to relevant problems, get your questions answered, and to meet and interact online with scientists and developers.

Training sessions are reserved for current customers with limited seats available per session.

See the agenda for dates, times, and topics.

Registered attendees:

Getting to know the MedeA Software Environment

October 6, 2020

MedeA GUI overview, JobServer & TaskServer basics, and introductory model building, introduction to MedeA GIBBS

Marianna Yiannourakou
MedeA LAMMPS: Robust Gateway to Molecular Dynamics

October 13, 2020

Quick tour of the interatomic potentials in MedeA LAMMPS, the steps of importing external potentials, and the MedeA modules that open up endless possibilities with interatomic potentials: MedeA Deposition, Deformation, and Mesoscale modules

Ray Shan
MedeA VASP 6: Random Phase Approximation, Electron-Phonon Coupling, GW

October 20, 2020

This session provides an overview on how to use MedeA VASP 6 to perform calculations that go beyond DFT

David Reith
MedeA Transition State Search: Calculating Energy Barriers of Chemical Reactions and Diffusion Processes with Ease

October 27, 2020

Quick tour and guidelines of how to efficiently apply the MedeA Transitions State Search (TSS) module to map energy pathways and energy barriers of activated processes such as chemical reactions and diffusion processes

Rene Windiks
Fighting Diseases with MedeA: Applications in the Pharmaceutical Industry

November 5, 2020

MedeA tools for exploring molecular crystal: structural, mechanical, nuclear magnetic resonance (NMR), and thermal properties

Siwen Wang