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PLUMED Tutorials: a collaborative, community-driven learning ecosystem

Authors :
Tribello, Gareth A.
Bonomi, Massimiliano
Bussi, Giovanni
Camilloni, Carlo
Armstrong, Blake I.
Arsiccio, Andrea
Aureli, Simone
Ballabio, Federico
Bernetti, Mattia
Bonati, Luigi
Brookes, Samuel G. H.
Brotzakis, Z. Faidon
Capelli, Riccardo
Ceriotti, Michele
Chan, Kam-Tung
Cossio, Pilar
Dasetty, Siva
Donadio, Davide
Ensing, Bernd
Ferguson, Andrew L.
Fraux, Guillaume
Gale, Julian D.
Gervasio, Francesco Luigi
Giorgino, Toni
Herringer, Nicholas S. M.
Hocky, Glen M.
Hoff, Samuel E.
Invernizzi, Michele
Languin-Cattöen, Olivier
Leone, Vanessa
Limongelli, Vittorio
Lopez-Acevedo, Olga
Marinelli, Fabrizio
Martinez, Pedro Febrer
Masetti, Matteo
Mehdi, Shams
Michaelides, Angelos
Murtada, Mhd Hussein
Parrinello, Michele
Piaggi, Pablo M.
Pietropaolo, Adriana
Pietrucci, Fabio
Pipolo, Silvio
Pritchard, Claire
Raiteri, Paolo
Raniolo, Stefano
Rapetti, Daniele
Rizzi, Valerio
Rydzewski, Jakub
Salvalaglio, Matteo
Schran, Christoph
Seal, Aniruddha
Zadeh, Armin Shayesteh
Silva, Tomás F. D.
Spiwok, Vojtěch
Stirnemann, Guillaume
Sucerquia, Daniel
Tiwary, Pratyush
Valsson, Omar
Vendruscolo, Michele
Voth, Gregory A.
White, Andrew D.
Wu, Jiangbo
Publication Year :
2024

Abstract

In computational physics, chemistry, and biology, the implementation of new techniques in a 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the COVID-19 pandemic highlighted the benefits of online training, traditional online tutorials can quickly become outdated and may not cover all the software's functionalities.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.<br />Comment: 26 pages, 5 figures

Details

Database :
arXiv
Publication Type :
Report
Accession number :
edsarx.2412.03595
Document Type :
Working Paper