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the COVID-19 pandemic highlighted the benefits of online training, traditional online tutorials can quickly become outdated and may not cover all the software's functionalities.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.

PLUMED Tutorials: A collaborative, community-driven learning ecosystem / G.A. Tribello, M. Bonomi, G. Bussi, C. Camilloni, B.I. Armstrong, A. Arsiccio, S. Aureli, F. Ballabio, M. Bernetti, L. Bonati, S.G.H. Brookes, Z.F. Brotzakis, R. Capelli, M. Ceriotti, K. Chan, P. Cossio, S. Dasetty, D. Donadio, B. Ensing, A.L. Ferguson, G. Fraux, J.D. Gale, F.L. Gervasio, T. Giorgino, N.S.M. Herringer, G.M. Hocky, S.E. Hoff, M. Invernizzi, O. Languin-Cattoën, V. Leone, V. Limongelli, O. Lopez-Acevedo, F. Marinelli, P. Febrer Martinez, M. Masetti, S. Mehdi, A. Michaelides, M.H. Murtada, M. Parrinello, P.M. Piaggi, A. Pietropaolo, F. Pietrucci, S. Pipolo, C. Pritchard, P. Raiteri, S. Raniolo, D. Rapetti, V. Rizzi, J. Rydzewski, M. Salvalaglio, C. Schran, A. Seal, A. Shayesteh Zadeh, T.F.D. Silva, V. Spiwok, G. Stirnemann, D. Sucerquia, P. Tiwary, O. Valsson, M. Vendruscolo, G.A. Voth, A.D. White, J. Wu. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 162:9(2025 Mar 04), pp. 1-26. [10.1063/5.0251501]

PLUMED Tutorials: A collaborative, community-driven learning ecosystem

C. Camilloni
;
F. Ballabio;R. Capelli;
2025

Abstract

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.
Settore PHYS-06/A - Fisica per le scienze della vita, l'ambiente e i beni culturali
   Attracting Postdoctoral Researchers in any Research Field to the Basque Country
   WOLFRAM2
   European Commission
   Horizon 2020 Framework Programme
   101034228

   Unraveling Nitrate Photochemistry in the Environment
   National Science Foundation
   Directorate for Mathematical & Physical Sciences
   2305164
4-mar-2025
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/1155919
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