Name: Spring School in Computational Chemistry 2017 @ CSC
Start: 2017-03-14T09:00:00+02:00
End: 2017-03-17T15:00:00+02:00
Location: CSC - IT Center for Science

Monday, March 13, 2017
Tuesday, March 14, 2017

9:00 AM Welcome and Introduction

9:00 AM - 9:30 AM
Room: Training room Dogmi, 1st floor

9:30 AM Introduction to Classical MD

9:30 AM - 10:00 AM
Room: CSC's training room Dogmi

10:00 AM Coffee break
Coffee break
10:00 AM - 10:15 AM
Room: CSC's training lobby

10:15 AM Introduction to Classical MD: continued
continued
10:15 AM - 11:00 AM
Room: CSC's training room Dogmi

11:00 AM Break
Break
11:00 AM - 11:15 AM
Room: CSC's training lobby

11:15 AM Introduction to Classical MD: continued
continued
11:15 AM - 12:00 PM
Room: CSC's training room Dogmi

12:00 PM Lunch
Lunch
12:00 PM - 1:00 PM
Room: Restaurant, Life Science Center Keilaniemi

1:00 PM Using CSC's environment

1:00 PM - 1:15 PM
Room: CSC's training room Dogmi

1:15 PM MD workshop (advanced)

1:15 PM - 2:30 PM
Room: TBA

MD workshop (basics)

1:15 PM - 2:30 PM
Room: TBA

MD workshop (intermediate)

1:15 PM - 2:30 PM
Room: TBA

2:30 PM Coffee break
Coffee break
2:30 PM - 3:00 PM
Room: CSC's training lobby

3:00 PM MD workshop (advanced)

3:00 PM - 4:30 PM
Room: TBA

MD workshop (intermediate)

3:00 PM - 4:30 PM
Room: TBA

MD-workshop (basics)

3:00 PM - 4:30 PM
Room: TBA

4:30 PM Break
Break
4:30 PM - 4:45 PM
Room: CSC's training lobby

4:45 PM Wrap-up discussion

4:45 PM - 5:00 PM
Room: CSC's training room Dogmi

5:00 PM Poster session

5:00 PM - 7:00 PM
Room: CSC's training lobby
Wednesday, March 15, 2017

9:15 AM Introduction to electronic-structure theory

9:15 AM - 10:00 AM
Room: CSC's training room Dogmi

10:00 AM Coffee break
Coffee break
10:00 AM - 10:15 AM
Room: CSC's training lobby

10:15 AM Introduction to electronic-structure theory: continued
continued
10:15 AM - 11:00 AM
Room: CSC's training room Dogmi

11:00 AM Break
Break
11:00 AM - 11:15 AM
Room: CSC's training lobby

11:15 AM Introduction to electronic-structure theory: continued
continued
11:15 AM - 12:00 PM
Room: CSC's training room Dogmi

12:00 PM Lunch
Lunch
12:00 PM - 1:00 PM
Room: Restaurant, Life Science Center Keilaniemi

1:00 PM QC workshop (advanced)

1:00 PM - 2:30 PM
Room: TBA

QC workshop (basics)

1:00 PM - 2:30 PM
Room: TBA

QC workshop (intermediate)

1:00 PM - 2:30 PM
Room: TBA

2:30 PM Coffee break
Coffee break
2:30 PM - 3:00 PM
Room: CSC's training lobby

3:00 PM QC workshop (advanced)

3:00 PM - 4:45 PM
Room: TBA

QC workshop (basics)

3:00 PM - 4:45 PM
Room: TBA

QC workshop (intermediate)

3:00 PM - 4:45 PM
Room: TBA

4:45 PM Wrap-up discussion

4:45 PM - 5:00 PM
Room: CSC's training room Dogmi
Thursday, March 16, 2017

9:15 AM Accelerated sampling

9:15 AM - 10:00 AM
Room: CSC's training room Dogmi

10:00 AM Coffee break
Coffee break
10:00 AM - 10:15 AM
Room: CSC's training lobby

10:15 AM Physics-based methods in drug design in pharmaceutical industry

10:15 AM - 11:00 AM
Room: CSC's training room Dogmi

11:00 AM Break
Break
11:00 AM - 11:15 AM
Room: CSC's training lobby

11:15 AM Scientific Writing

11:15 AM - 12:00 PM
Room: CSC's training room Dogmi

12:00 PM Lunch
Lunch
12:00 PM - 1:00 PM
Room: Restaurant, Life Science Center Keilaniemi

1:00 PM Machine Learning in Chemistry

1:00 PM - 2:30 PM
Room: CSC's training room Dogmi

2:30 PM Coffee break
Coffee break
2:30 PM - 3:00 PM
Room: CSC's training lobby

3:00 PM Machine Learning in Chemistry: continued
continued
3:00 PM - 4:30 PM
Room: CSC's training room Dogmi

4:30 PM Break and transition
Break and transition
4:30 PM - 5:00 PM

5:00 PM QMMM

5:00 PM - 5:45 PM
Room: Life Science Center Keilaniemi, A-building, sauna department

5:45 PM Sauna evening & dinner
Sauna evening & dinner
5:45 PM - 7:15 PM
Room: Life Science Center Keilaniemi, A-building, sauna
Friday, March 17, 2017

9:15 AM Visualizing your results. Introduction to VMD (hands-on)

9:15 AM - 10:00 AM
Room: CSC's training room Dogmi

10:00 AM Coffee break
Coffee break
10:00 AM - 10:15 AM
Room: CSC's training lobby

10:15 AM Visualizing your results. Introduction to VMD (hands-on): continued
continued
10:15 AM - 11:00 AM
Room: CSC's training room Dogmi

11:00 AM Break
Break
11:00 AM - 11:15 AM
Room: CSC's training lobby

11:15 AM Visualizing your results. Introduction to VMD (hands-on): continued
continued
11:15 AM - 12:00 PM
Room: CSC's training room Dogmi

12:00 PM Lunch
Lunch
12:00 PM - 1:00 PM
Room: Restaurant, Life Science Center Keilaniemi

1:00 PM General hands on session: How to analyse the electronic density (Dr. Michael Patzschke)
How to analyse the electronic density (Dr. Michael Patzschke)
1:00 PM - 3:00 PM
Room: Training room Dogmi, 1st floor

General hands on session: discuss your own research with CSC's specialists
discuss your own research with CSC's specialists
1:00 PM - 3:00 PM
Room: CSC's training room Dogmi or Lobby