MoSGrid: A New Tool for Molecular Simulations
Author Information
Author(s): Birkenheuer G, Blunk D, Breuers S, Brinkmann A, dos Santos Vieira I, Fels G, Gesing S, Grunzke R, Herres-Pawlis S, Kohlbacher O, Kruber N, Krüger J, Lang U, Packschies L, Müller-Pfefferkorn R, Schäfer P, Schmalz H-G, Steinke T, Warzecha K-D, Wewior M
Conclusion
MoSGrid provides a platform for remote computational chemistry services and fosters collaborative work through secure data repositories.
Supporting Evidence
- MoSGrid allows for the submission and monitoring of compute jobs through a web-based portal.
- Functional prototypes for quantum chemical and molecular dynamics applications are already available.
- MoSGrid promotes efficient collaboration by providing secure repositories for validated data.
Takeaway
MoSGrid is like a special online tool that helps scientists do chemistry experiments on computers from anywhere, making it easier for them to work together.
Methodology
The project uses a web-based portal for job submission and result retrieval, with modular portlets for different molecular simulation codes.
Digital Object Identifier (DOI)
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