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:
- Lecture I: an overview of the methodological background followed by a brief description of the exercises assigned to the students;
- Lecture II: a practical lecture in which the instructor solves the assigned exercises.
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|
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.
At the end of each series of lectures, all participants will be invited to a virtual poster session. More info will be available soon.
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.