In January 2024, the MolSim school takes place at the University of Amsterdam, on site. The school hosts PhD candidates and postdoctoral researchers working in the field of molecular simulation. MolSim-2024 is organized by the Amsterdam Center for Multiscale Modeling.
- Who: ACMM (Amsterdam Center for Multiscale Modeling)
- Where: Science Park Campus – University of Amsterdam (NL)
- When: January 8-19, 2024
Organisers
- Evert Jan Meijer (University of Amsterdam)
- Berend Smit (EPFL)
- Daan Frenkel (University of Cambridge)
- David Dubbeldam (University of Amsterdam)
- Laura Bastiaans-Tomé (University of Amsterdam)
Molsim-2024 Pictures
Pictures made during the school will follow.
Molsim-2024 Program
The program consists of morning sessions with lectures, and afternoon sessions with hand-on exercises.
| Day | Hour | Room | Lecturer | Course | Lecture Notes |
|---|---|---|---|---|---|
| Monday 8/1 | 09:00-09:15 | C0.110 | Evert Jan Meijer | Welcome | |
| 09:15-13:00 | C0.110 | Berend Smit | Lecture: Introduction Statistical Thermodynamics | Intro Stat Mech | |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Introduction Statistical Thermodynamics | ||
| Tuesday 9/1 | 09:00-12:30 | C0.110 | Berend Smit | Lecture: Monte Carlo Basic Techniques | Monte Carlo – Intro |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: MC Basic Techniques | ||
| Wednesday 10/1 | 09:00-12:30 | C0.110 | Berend Smit | Lecture: MD Basic Techniques | MD – Intro |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: MD Basic Techniques | ||
| Thursday 11/1 | 09:00-12:30 | C0.110 | Evert Jan Meijer | Lecture: Free Energies – MD-thermostats | FreeEnergy – Thermostats |
| 13:30-16:30 | G.010, G0.23 | Lab Course Team | Lab Course: Free Energies and Phase Equilibria | ||
| 17:00-19:00 | Participants | Poster Session | |||
| Friday 12/1 | 09:00-12:30 | C0.110 | Thijs Vlugt | Lecture: Advanced MC, CBMC, CFCMC | MC – Advanced |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: CFCMC | ||
| Saturday 13/1 | Day Off | ||||
| Sunday 14/1 | |||||
| Monday 15/1 | 09:00-12:30 | C0.110 | Bernd Ensing | Lecture: Rare Events | Rare Events |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Rare Events | ||
| Tuesday 16/1 | 09:00-12:30 | C0.110 | Kevin Jabkonka Mohamad Moosavi | Lecture: Machine Learning | |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Machine Learning | ||
| Wednesday 17/1 | 09:00-12:30 | C0.110 | Daan Frenkel | Lecture: Sampling – Advanced Methods | Advanced Methods |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Coures: MD/MC in various Ensembles | ||
| Thursday 18/1 | 09:00-12:00 | C0.110 | Jocelyne Vreede | Lecture: Advanced MD – Modeling Biological Systems | Bio Systems |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Bio/meta-dynamics | ||
| Friday 19/1 | 09:30-12:00 | C0.110 | Ioana Ilie | Lecture & Seminar : Coarse Graining | Coarse Graining |
| ~12:00 | C0.110 | Evert Jan Meijer | Closing |
Affiliation Lecturers
Daan Frenkel – University of Cambridge (UK)
Berend Smit – EPFL (CH)
David Dubbeldam – University of Amsterdam (NL)
Peter Bolhuis – UvA
Thijs Vlugt – Delft University of Technology (NL)
Mohamad Moosavi – University of Toronto (CA)
Kevin Jablonka – Friedrich Schiller Universität Jena (DE)
Bernd Ensing – UvA
Jocelyne Vreede – UvA
Ioana Ilie – UvA
Evert Jan Meijer – UvA
Downloads
Preparatory instructions for Machine Learning Lab Course
Follow the instructions on this GitHub page to setup your conda environment.
Do this beforehand to avoid network problems during the lab course on Thursday afternoon.
2024-01-09