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research article

PLUMED Tutorials: A collaborative, community-driven learning ecosystem

Tribello, Gareth A.
•
Bonomi, Massimiliano
•
Bussi, Giovanni
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March 7, 2025
Journal Of Chemical Physics

In computational physics, chemistry, and biology, the implementation of new techniques in shared and open-source software lowers barriers to entry and promotes rapid scientific progress. However, effectively training new software users presents several challenges. Common methods like direct knowledge transfer and in-person workshops are limited in reach and comprehensiveness. Furthermore, while the COVID-19 pandemic highlighted the benefits of online training, traditional online tutorials can quickly become outdated and may not cover all the software's functionalities. To address these issues, here we introduce "PLUMED Tutorials," a collaborative model for developing, sharing, and updating online tutorials. This initiative utilizes repository management and continuous integration to ensure compatibility with software updates. Moreover, the tutorials are interconnected to form a structured learning path and are enriched with automatic annotations to provide broader context. This paper illustrates the development, features, and advantages of PLUMED Tutorials, aiming to foster an open community for creating and sharing educational resources.

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Type
research article
DOI
10.1063/5.0251501
Web of Science ID

WOS:001438772600008

PubMed ID

40035582

Author(s)
Tribello, Gareth A.

Queens University Belfast

Bonomi, Massimiliano

Pasteur Network

Bussi, Giovanni

International School for Advanced Studies (SISSA)

Camilloni, Carlo

University of Milan

Armstrong, Blake I.

Curtin University

Arsiccio, Andrea

Coriolis Pharma

Aureli, Simone

University of Geneva

Ballabio, Federico

University of Milan

Bernetti, Mattia

University of Urbino

Bonati, Luigi

Istituto Italiano di Tecnologia - IIT

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Date Issued

2025-03-07

Publisher

AIP Publishing

Published in
Journal Of Chemical Physics
Volume

162

Issue

9

Article Number

092501

Subjects

REPLICA-EXCHANGE

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SIMULATIONS

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Science & Technology

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Physical Sciences

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
COSMO  
SCITAS-GE  
FunderFunding(s)Grant NumberGrant URL

European Research Council (ERC)

101086685;101001784

Agence Nationale de la Recherche (ANR)

ANR-20-CE45-0002

Roux-Cantarini fellowship from the Institut Pasteur (Paris, France)

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Available on Infoscience
March 18, 2025
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/247954
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