A bit of history: PLUMED Masterclass
PLUMED Masterclass was a series of virtual and interactive classes, each one focused on a specific theme ranging from basic concepts to advanced topics in molecular simulations. Created during the COVID-19 pandemic, two series of PLUMED Masterclass were delivered in 2021 and 2022 by PLUMED developers and contributors. Overall, the two series of lectures were attended by more than 200 people.
Each Masterclass was 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 had one week to complete the exercises on their own or in groups. They had access to a dedicated Slack organization, where they were able to interact with lecturers and with other participants during the entire week.
List of Classes
Information about the two series of PLUMED Masterclass can be found in the table below. In 2024, these lectures were converted into PLUMED Tutorials, which can be accessed by clicking on the corresponding series. All 21 classes are also available on YouTube. As of November 2024, they have been viewed 49500 times.
| Series | Dates | Classes | Organ izers |
Lectu rers |
Description |
|---|---|---|---|---|---|
| 2021 | Jan. - May 2021 | 7 | G. Bussi, M. Bonomi, G. A. Tribello | 3 | The first Masterclass series, created by three core PLUMED developers, aimed to introduce students to basic simulation techniques available in PLUMED, including block averaging, biased sampling, metadynamics, and multi-replica simulations. The series concluded with an online poster session where students presented their research. |
| 2022 | Jan. - Dec. 2022 | 14 | G. Bussi, M. Bonomi | 15 | In the second Masterclass series, PLUMED contributors were invited to explain the types of simulations that can be conducted using the modules they developed. This series focused on advanced simulation techniques and less commonly used enhanced sampling methods. Topics of this series included experimentally-informed molecular dynamics simulations, simulations of crystallisation in solid and from solution, and ligand binding. |