MolSim-2020: Understanding Molecular Simulation
In January 2020, the school MolSim-2020 is scheduled to take place at the University of Amsterdam. The school hosts PhD and postdoc students working in the field of molecular simulation. MolSim-2018 is organized by the Amsterdam Center for Multiscale Modeling.
- Who: ACMM (Amsterdam Center for Multiscale Modeling)
- Where: University of Amsterdam
- When: January 6-17, 2020
- General information and application: visit the CECAM website by clicking this line.
Molsim-2020 Pictures
Pictures made during the school will follow.
Molsim-2020 Program
The program consists of morning sessions with lectures, and afternoon sessions with hand-on exercises. There will be a poster session, and during the weekend an organized social event.
Day |
Hour |
Room |
Lecturer |
Course |
Lecture Notes |
| Monday 6/1 | 09:00-09:15 | C0.110 | Evert Jan Meijer | Welcome | |
| 09:15-12:00 | C0.110 | Berend Smit | Intro General | ||
| Intro Stat Mech | |||||
| 13:00-16:30 | G.010, G0.23 | David Dubbeldam Bernd Ensing | Lab Course | ||
| 16:30 | Welcome drinks | ||||
| Tuesday 7/1 | 09:00-12:00 | C0.110 | Berend Smit | Intro Monte Carlo |
|
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Wednesday 8/1 | 09:00-12:00 | C0.110 | Berend Smit | Intro Molecular Dynamics |
|
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Thursday 9/1 | 09:00-12:00 | C0.110 | Thijs Vlugt | MC - CBMC | |
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| 17:00-20:00 | POSTER SESSION, DRINKS AND FOOD | ||||
| Friday 10/1 | 09:00-12:00 | C0.110 | Evert Jan Meijer | Ensembles | |
| Free Energies and Phase Equilibria | |||||
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Saturday 11/1 | Day Off | ||||
| Sunday 12/1 | 16:00 | Social Event + Dinner | |||
| Monday 13/1 | 09:00-12:00 | C0.110 | Daan Frenkel | MC - Advanced |
|
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Tuesday 14/1 | 09:00-10:30 | C0.110 | Tristan Bereau | Machine Learning - I | |
| 11:00-12:15 | C0.110 | Sanne Abeln | Biological Systems | ||
| powerpoint (small) | |||||
| pdf (large) | |||||
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Wednesday 15/1 | 09:00-12:00 | C0.110 | Peter Bolhuis | Rare Events |
|
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Thursday 16/1 | 09:00-12:00 | C0.110 | Mohamad Moosavi/Kevin Jablonka | Machine Learning - II | |
| 13:00-17:00 | G0.10, G0.23 | Kevin Jablonka/Mohamad Moosavi | Lab Course | ||
| Friday 17/1 | 09:30-10:30 | C0.110 | Nicola Marzari | Why is DFT like Tinder? | |
| 11:00-12:00 | C0.110 | Nicola Marzari | The great acceleration in materials discovery | ||
| ~12:00 | C0.110 | Evert Jan Meijer | Closing |
Affiliations Lecturers:
Nicola Marzari - EPFL
Tristan Bereau - University of Amsterdam and MPI Polymer Research
Mohamad Moosavi - EPFL
Kevin Jablonka - EPFL
Sanne Abeln - Free University Amsterdam
Thijs Vlugt - Delft University of Technology
Daan Frenkel - University of Cambridge
Berend Smit - EPFL
Bernd Ensing - University of Amsterdam
David Dubbeldam - University of Amsterdam
Peter Bolhuis - University of Amsterdam
Evert Jan Meijer - University of Amsterdam
MolSim-2020 Exercises
Click here to download the MolSim2020 exercises
- choose "save file"
- depending on your situation, choose between these
options:
- OPTION 1: if you will compile and run the exercises on your own laptop or on a linux desktop computer, create a directory (e.g. "molsim") and move the downloaded "Exercises.tar.gz" file in this directory.
- OPTION 2: if you will compile and run the exercises remotely on the Bazis computer, make a unique directory (e.g. "JohnAndJaneDoe_821") on the Bazis cluster and move the downloaded "Exercises.tar.gz" file in this directory (e.g. open a terminal and execute the command: "scp ~/Downloads/Exercises.tar.gz molsimxx@bazis.science.uva.nl:JohnAndJaneDoe_821/" (assuming that the account name is "molsimxx"))
- open a terminal window
- change directory to the one that you created and move the "Exercises.tar.gz" file to (e.g. "cd ~/molsim"); if you moved it to the Bazis computer, first login to that machine (e.g. "ssh molsimxx@bazis.science.uva.nl").
- unpack the file "Exercises.tar.gz" by typing the unix command "tar -xzvf Exercises.tar.gz"
- now you should have a directory "Exercises" in your home-directory (assuming that the file "Exercises.tar.gz" was saved in the directory that you are currently in).
Click here to
download the extra Rare Event exercise on metadynamics for
15 January.
Click here for
the exercise session on machine learning on
16 January.