Free Energy Calculation and Molecular Kinetics Workshop

Event Details

Course website:

This workshop will provide a hands-on introduction to two of the most successful enhanced-sampling methods that are widely used to compute the free energy landscape and the kinetics associated with complex biomolecular events. In days 1 and 2, we will introduce the theory and practicalities of Markov models, showing how they can be used to calculate free energies and kinetics from biased and unbiased molecular dynamics trajectories. In day 3, we will introduce the theory of Metadynamics-based enhanced sampling approaches, followed by step-by-step tutorials for setting up and analyzing metadynamics simulations with the open-source plug-in PLUMED.

The workshop is aimed at advanced PhD students or post-docs who already have a working knowledge of molecular dynamics simulations of bio-molecular systems. During the 3 day training, the participants will become familiar with the free open-source program packages and learn to effectively use them in their own research. The workshop is open to advanced PhD students, postdoctoral fellows, and principal investigators, including participants from industry. Participants will be encouraged to share their experience with rare events in biomolecular systems and to try and apply the acquired knowledge on their own systems.

This course is now full. However, you can still register interest on this site. We will use this list in case of cancellations. In addition, we are looking into running the workshop again in the near future if there is sufficient interest.

Venue: Strand Campus, King’s College London, Strand, London WC2R 2LS. Room K4UI.13

Start Date: Monday, 20th April 2015
End Date: Wednesday, 22nd April 2015

Price: £0
Fee Info: There is no registration fee, but students will need to pay for their own travel and accommodation.

Spaces Available

21 remaining out of 80 spaces

View list of delegates

Venue Details

King's College London
Strand Campus, Strand, London WC2R 2LS.

Accommodation Details

Students are responsible for booking and paying for their own accommodation. Short stay accommodation for King's College can be booked at
For further information contact Meeting Administrator