MolSim 2016: Understanding Molecular Simulation
In January 2016, the school MolSim2016 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-2016 is organized by the Amsterdam Center for Multiscale Modelling. Lecturers will include Daan Frenkel (Cambridge University), Berend Smit (EPFL Lausanne and Berkeley University), and Ali Alavi (Cambridge University and MPI for Solid State Research).
- Who: ACMM (Amsterdam Center for Multiscale Modeling)
- Where: University of Amsterdam
- When: January 4-15, 2016
- General information and application: visit the CECAM website by clicking this line.
Molsim-2016 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.
Below you find the general framework of the schedule of the MolSim-2016 school.
Day |
Hour |
Room |
Lecturer |
Course |
|
| Monday 4/1 | 09:10-09:15 | C0.110 | Welcome | ||
| 09:15-12:30 | C0.110 | Berend Smit | Introduction | Intro Statistical Thermodynamics | |
| 13:30-16:00 | A1.04, D1.111 | Lab Course | |||
| 16:00 | Welcome drinks | ||||
| Tuesday 5/1 | 09:00-12:30 | C0.110 | Berend Smit | Intro Monte Carlo | |
| 13:30-18:00 | A1.04, D1.111 | Lab Course | |||
| Wednesday 6/1 | 09:00-12:30 | C0.110 | Berend Smit | Intro Molecular Dynamics | |
| 13:30-18:00 | A1.04, D1.111 | Lab Course | |||
| Thursday 7/1 | 09:00-12:30 | C0.110 | Evert Jan Meijer | MC: Advanced Methods I | |
| 13:30-17:00 | A1.04, D1.111 | Lab Course | |||
| 17:00-20:00 | POSTER SESSION, DRINKS AND FOOD | ||||
| Friday 8/1 | 09:00-12:30 | C0.110 | Thijs Vlugt | Configurational Bias Monte Carlo | |
| 13:30-18:00 | A1.04, B1.24ABCD | Lab Course | |||
| Saturday 9/1 | Day Off | ||||
| Sunday 10/1 | 16:00 |  | Social Event + Dinner | ||
| Monday 11/1 | 09:00-12:30 | C0.110 | Evert Jan Meijer |
Free Energies and Phase Equilibria |
|
| 13:30-18:00 | A1.04, B1.24ABCD | Lab Course | |||
| Tuesday 12/1 | 09:00-12:30 | C0.110 | Peter Bolhuis | Rare Events |
|
| 13:30-18:00 | A1.04, D1.111 | Lab Course | |||
| Wednesday 13/1 | 09:00-10:30 | C0.110 | Sara Bonella | Advanced Methods: Quantum Effects | |
| 11:00-12:30 | C0.110 | Sanne Abeln | Biological Methods - Lattice Models | ||
| 13:30-18:00 | A1.04, D1.111 | Lab Course | |||
| Thursday 14/1 | 09:00-12:30 | C0.110 | Daan Frenkel | MC: Advanced Methods II |
|
| 13:30-18:00 | A1.04, D1.111 | Lab Course | |||
| Friday 15/1 | 09:00-10:00 | C0.110 | Ali Alavi | Lecture: MC in Electronic Structure Calculations | |
| 10:00-11:00 | Hall | Coffee | |||
| 11:00-12:00 | C0.110 | Ali Alavi | Seminar: MC in Electronic Structure Calculations | ||
| 12:00 | C0.110 | Closing |
MolSim2016 Exercises
Click here to download
the MolSim2016 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 molsim1@bazis.science.uva.nl:JohnAndJaneDoe_821/" (assuming that the account name is "molsim1"))
- 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 molsim1@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).