Name: NHR-ASC Hands-on Workshop Amsterdam Modelling Suite
Start: 2023-03-22T13:30:00+01:00
End: 2023-03-22T17:00:00+01:00
Location: online, Zoom

NHR-ASC Hands-on Workshop Amsterdam Modelling Suite

Wednesday, March 22, 2023 - 1:30 PM

Monday, March 20, 2023
Tuesday, March 21, 2023
Wednesday, March 22, 2023
1:30 PM
1:30 PM - 5:00 PM
Contributions

1:30 PM Brief overview of the Amsterdam Modeling Suite

1:45 PM Hands-on on local machines: building molecules and periodic systems, calculating spectra and properties, finding transition states

3:00 PM (ADF), ReaxFF, DFTB - scaling MD runs and trivially parallel jobs on HPC

4:30 PM Q&A, topics of interest