PLUMED Masterclass

PLUMED Masterclass is a series of virtual and interactive classes, each one focused on a specific theme ranging from basic concepts to advanced topics in molecular simulations. Each class is composed by two lectures held on Zoom:

In between the two lectures, the participants will have one week to complete the exercises on their own or in groups. They will have access to a dedicated Slack organization, where they will be able to interact with lecturers and with other participants during the entire week. The number of participants will be kept low so as to favor interactions.

List of Classes

Class Topic Lecture I Lecture II Instructor
21.I PLUMED syntax and analysis January 18, 2021 January 25, 2021 M. Bonomi
21.II Statistical errors in MD February 1, 2021 February 8, 2021 G. Tribello
21.III Umbrella sampling February 15, 2021 February 22, 2021 G. Bussi
21.IV Metadynamics March 1, 2021 March 8, 2021 M. Bonomi
21.V Replica exchange methods March 15, 2021 March 22, 2021 G. Bussi
21.VI Dimensionality reduction April 12, 2021 April 19, 2021 G. Tribello
21.VII Performance optimization April 26, 2021 May 3, 2021 M. Bonomi
21.VIII Poster session May 10, 2021    

Practical info

All lectures will take place at 7AM San Francisco / 10AM New York / 3PM London / 4PM Paris / 10PM Beijing time. The first lecture of each class will last approximately 1 hour, whereas the correction should last about 2 hours. The classes of this first series will be delivered by PLUMED developers.

Poster session

At the end of each series of lectures, all participants will be invited to a virtual poster session. More info will be available soon.

Resources

Participants are expected to run the exercises using their computing resources. For most of the classes, a laptop with Linux or MacOS will be sufficient. However, for some classes access to a reasonable workstation will be required. The required software will be provided on a conda channel.

How to apply

If you want to partecipate to one or more classes, please apply here at the latest 2 months before the first class you plan to attend. Due to the limited number of places available, one month before each selected class we will let you know if your application has been accepted. We do not foresee any fee at this time, but we might have to add a small one to cover running costs.