In January 2023, the MolSim-2023 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-2023 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 9-20, 2023
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-2023 Pictures
Pictures made during the school will follow.
Molsim-2023 Program
The program consists of morning sessions with lectures, and afternoon sessions with hand-on exercises.
| Day | Hour | Room | Lecturer | Course | Lecture Notes |
|---|---|---|---|---|---|
| Monday 9/1 | 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 10/1 | 09:00-12:30 | C0.110 | Berend Smit | Lecture: Monte Carlo Basic Techniques | Monte Carlo |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: MC Basic Techniques | ||
| Wednesday 11/1 | 09:00-12:30 | C0.110 | Berend Smit | Lecture: MD Basic Techniques | Molecular Dynamics |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: MD Basic Techniques | ||
| Thursday 12/1 | 09:00-12:30 | C0.110 | Daan Frenkel | Lecture: Measurements in Simulation | Measurements |
| 13:30-16:30 | G.010, G0.23 | Lab Course Team | Lab Course: Ensembles | ||
| 17:00-19:00 | Participants | Poster Session | |||
| Friday 13/1 | 09:00-12:30 | C0.110 | Evert Jan Meijer | Lecture: Free Energies – MD-thermostats | FreeEnergies |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Free Energies and Phase Equilibria | ||
| Saturday 14/1 | Day Off | ||||
| Sunday 15/1 | Social Event (Afternoon/Evening) | ||||
| Monday 16/1 | 09:00-12:30 | C0.110 | Peter Bolhuis | Lecture: Rare Events | Rare Events |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Rare Events | ||
| Tuesday 17/1 | 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 | ||
| Wednesday 18/1 | 09:00-12:30 | C0.110 | Jocelyne Vreede | Lecture: Advanced MD – Modeling Biological Systems | Biological Systems |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Bio | ||
| Thursday 19/1 | 09:00-12:00 | C0.110 | Kevin Jabkonka | Lecture: Machine Learning | Machine Learning |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Machine Learning | ||
| Friday 20/1 | 09:00-12:00 | C0.110 | Christopher Mundy | Lecture & Seminar : Modeling Electrolytes | |
| ~12:00 | G.010, G0.23 | Evert Jan Meijer | Closing |
Affiliation Lecturers
Daan Frenkel – University of Cambridge (UK)
Berend Smit – EPFL (CH)
Christopher Mundy – PNNL (USA)
Thijs Vlugt – Delft University of Technology
Kevin Jablonka – EPFL
Peter Bolhuis – University of Amsterdam
Bernd Ensing – UvA
Evert Jan Meijer – UvA
David Dubbeldam – UvA
Ioana Ilie – UvA
Jocelyne Vreede – 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.