maestro-2020 - maestro-2020 - Training
|Date:||17.01.2020 9:30 - 17.01.2020 16:00|
|Location details:||The event is organised at the CSC Training Facilities located in the premises of CSC at Keilaranta 14, Espoo, Finland. The best way to reach us is by public transportation; more detailed travel tips are available.|
|lecturers:|| Dr. Simon Elliott |
Schrödinger; Dr. Laura Scarbath-Evers
|Participation includes all materials, lunches as well as morning and afternoon coffees.|
Payment can be made with electronic invoicing, credit card, or direct bank transfer. Note that for electronic invoicing you need the operator and e-invoicing address (OVT code) of your organization. Please also note that invoice reference is needed for electronic invoicing in your organization, so please have this available when registering.
The Schrödinger Maestro Materials Modelling Suite is a collection of tools accessible via one graphical user interface (GUI). Access to Maestro will became available for all academic users in Finland from January 2020.
The lectures will be given and hands-on exercises done at the CSC training room workstations (no need to bring your laptop). Read here how to use Maestro at CSC.
Prior experience of Maestro is not needed, but basic understanding of quantum chemistry is useful.
You can also join to follow a video stream of the lectures, but unfortunately there will be limited support for doing the hands-on remotely. If you want to participate remotely, please send email to atte.sillanpaa ät csc.fi to get hands-on input files.
You can install and test your setup in here: http://zoom.us/test and on Friday morning join the live stream in here.
If you're currently affiliated outside Finland, but would like to make a research visit here to e.g. work with Maestro, check the travel funding provided by HPC-Europa3!
Training workshop on simulating atomic layer deposition and related gas-surface processes
Lectures and hands-on: 09:30-16:00
This day-long workshop will give training in the use of Schrödinger's Materials Science Suite for the atomic-scale simulation of the chemistry of atomic layer deposition (ALD) and related gas-surface processes. Participants will get hands-on experience in using the Maestro GUI, including the specialised model builders for molecules, organometallic clusters, bulk materials and surfaces. The quantum mechanics engines Jaguar and Quantum Espresso will be introduced. The workshop will also include a brief recap of background theory for quantum chemistry and some case studies of ALD simulations from the research literature.