Early 2025, from Jan 06 to Jan 17, the MolSim school takes place at the University of Amsterdam, on site. The school aims at PhD candidates and postdoctoral researchers working in the field of molecular simulation. MolSim-2025 is organized by the Computational Chemistry Group at the UvA, and is part of the scientific program of CECAM-NL and the Amsterdam Center for Multiscale Modeling.
- Who: ACMM (Amsterdam Center for Multiscale Modeling)
- Where: Science Park Campus – University of Amsterdam (NL)
- When: January 6-17, 2025
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)
Applying for Attending the School
Applications for attendance closed on November 10, 2024.
Molsim-2025 Pictures
Pictures made during the school will follow.
Molsim-2025 Program
The program consists of morning sessions with lectures, and afternoon sessions with hand-on exercises.
Tentative program (as of Dec 18, 2024)
| Day | Hour | Room | Lecturer | Course Topic |
|---|---|---|---|---|
| Monday 06/1 | 09:00-09:15 | C0.110 | Evert Jan Meijer | Welcome |
| 09:15-13:00 | C0.110 | Berend Smit | Lecture: Introduction Statistical Thermodynamics | |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Introduction Statistical Thermodynamics | |
| Tuesday 07/1 | 09:00-12:30 | C0.110 | Berend Smit | Lecture: Monte Carlo (MC) Basic Techniques |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: MC Basic Techniques | |
| Wednesday 08/1 | 09:00-12:30 | C0.110 | Berend Smit | Lecture: Molecular Dynamics (MD) Basic Techniques |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: MD Basic Techniques | |
| Thursday 09/1 | 09:00-12:30 | C0.110 | Evert Jan Meijer | Lecture: Free Energies – MD-thermostats |
| 13:30-16:30 | G.010, G0.23 | Lab Course Team | Lab Course: Advanced MC | |
| 17:00-19:00 | Participants | Poster Session | ||
| Friday 10/1 | 09:00-12:30 | C0.110 | Thijs Vlugt | Lecture: Advanced MC, CBMC, CFCMC |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Advanced Molecular Dynamics | |
| Saturday 11/1 | Day Off | |||
| Sunday 12/1 | Social Event (afternoon) | |||
| Monday 13/1 | 09:00-12:30 | C0.110 | Peter Bolhuis | Lecture: Rare Events |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: TPS Open Path Sampling | |
| Tuesday 14/1 | 09:00-12:30 | C0.110 | Bernd Ensing | Lecture: Machine Learning |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Machine Learning | |
| Wednesday 15/1 | 09:00-12:30 | C0.110 | Jocelyne Vreede | Lecture: Advanced MD – Modeling Biological Systems |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Path-metadynamics | |
| Thursday 16/1 | 09:00-12:00 | C0.110 | Daan Frenkel | Lecture: Sampling – Advanced Methods |
| 13:30-17:00 | G.010, G0.23 | Lab Course Team | Lab Course: Advanced Biasing and Expanded Ensembles | |
| Friday 17/1 | 09:30-12:00 | C0.110 | TBA | Closing Lecture & Seminar |
| ~12:00 | C0.110 | 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)
Bernd Ensing – UvA
Jocelyne Vreede – UvA
Ioana Ilie – UvA
Evert Jan Meijer – UvA
Downloads
Download links will follow.
Preparatory instructions for Lab Course
Instructions will follow.
2024-12-18