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


  • 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.

DayHourRoomLecturerCourseLecture Notes
Monday 9/109:00-09:15C0.110Evert 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 10/109:00-12:30C0.110Berend SmitLecture: Monte Carlo Basic TechniquesMonte Carlo
13:30-17:00G.010, G0.23Lab Course TeamLab Course: MC Basic Techniques
Wednesday 11/109:00-12:30C0.110Berend SmitLecture: MD Basic TechniquesMolecular Dynamics
13:30-17:00G.010, G0.23Lab Course TeamLab Course: MD Basic Techniques
Thursday 12/109:00-12:30C0.110Daan FrenkelLecture: Measurements in SimulationMeasurements
13:30-16:30G.010, G0.23Lab Course TeamLab Course: Ensembles
17:00-19:00ParticipantsPoster Session
Friday 13/109:00-12:30C0.110Evert Jan MeijerLecture: Free Energies – MD-thermostatsFreeEnergies
13:30-17:00G.010, G0.23Lab Course TeamLab Course: Free Energies and Phase Equilibria
Saturday 14/1Day Off
Sunday 15/1Social Event (Afternoon/Evening)
Monday 16/109:00-12:30C0.110Peter BolhuisLecture: Rare EventsRare Events
13:30-17:00G.010, G0.23Lab Course TeamLab Course: Rare Events
Tuesday 17/109:00-12:30C0.110Thijs VlugtLecture: Advanced MC, CBMC, CFCMCMC-Advanced
13:30-17:00G.010, G0.23Lab Course TeamLab Course: CFCMC
Wednesday 18/1 09:00-12:30C0.110Jocelyne VreedeLecture: Advanced MD – Modeling Biological SystemsBiological Systems
13:30-17:00G.010, G0.23Lab Course TeamLab Course: Bio
Thursday 19/109:00-12:00C0.110Kevin JabkonkaLecture: Machine LearningMachine Learning
13:30-17:00G.010, G0.23Lab Course TeamLab Course: Machine Learning
Friday 20/109:00-12:00C0.110Christopher MundyLecture & Seminar : Modeling Electrolytes
~12:00G.010, G0.23Evert Jan MeijerClosing
All times are CET, Central European Time – Last update: January 18, 2023

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


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.