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.

DayHourRoomLecturerCourseLecture Notes
Monday 8/109:00-09:15C0.110Evert Jan MeijerWelcome 
09:15-13:00C0.110Berend SmitLecture: Introduction Statistical ThermodynamicsIntro
Stat Mech
13:30-17:00G.010, G0.23Lab Course TeamLab Course: Introduction Statistical Thermodynamics
Tuesday 9/109:00-12:30C0.110Berend SmitLecture: Monte Carlo Basic TechniquesMonte Carlo – Intro
13:30-17:00G.010, G0.23Lab Course TeamLab Course: MC Basic Techniques
Wednesday 10/109:00-12:30C0.110Berend SmitLecture: MD Basic TechniquesMD – Intro
13:30-17:00G.010, G0.23Lab Course TeamLab Course: MD Basic Techniques
Thursday 11/109:00-12:30C0.110Evert Jan MeijerLecture: Free Energies – MD-thermostatsFreeEnergy
Thermostats
13:30-16:30G.010, G0.23Lab Course TeamLab Course: Free Energies and Phase Equilibria
17:00-19:00ParticipantsPoster Session
Friday 12/109:00-12:30C0.110Thijs VlugtLecture: Advanced MC, CBMC, CFCMCMC – Advanced
13:30-17:00G.010, G0.23Lab Course TeamLab Course: CFCMC
Saturday 13/1Day Off
Sunday 14/1
Monday 15/109:00-12:30C0.110Bernd EnsingLecture: Rare Events
13:30-17:00G.010, G0.23Lab Course TeamLab Course: Rare Events
Tuesday 16/109:00-12:30C0.110Kevin Jabkonka
Mohamad Moosavi
Lecture: Machine Learning
13:30-17:00G.010, G0.23Lab Course TeamLab Course: Machine Learning
Wednesday 17/1 09:00-12:30C0.110Daan FrenkelLecture: Sampling – Advanced Methods
13:30-17:00G.010, G0.23Lab Course TeamLab Coures: MD/MC in various Ensembles
Thursday 18/109:00-12:00C0.110Jocelyne VreedeLecture: Advanced MD – Modeling Biological Systems
13:30-17:00G.010, G0.23Lab Course TeamLab Course: Bio/meta-dynamics
Friday 19/109:30-12:00C0.110Ioana IlieLecture & Seminar : Coarse Graining
~12:00C0.110Evert Jan MeijerClosing
All times are CET, Central European Time – Last update: Jan 17, 2024

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