The DOI matches its Crossref record; 7 of the 7 references it cites were found in a registry or an index.
PLUMED 2: New feathers for an old bird
Open accessAbstract
Enhancing sampling and analyzing simulations are central issues in molecular simulation. Recently, we introduced PLUMED, an open-source plug-in that provides some of the most popular molecular dynamics (MD) codes with implementations of a variety of different enhanced sampling algorithms and collective variables (CVs). The rapid changes in this field, in particular new directions in enhanced sampling and dimensionality reduction together with new hardware, require a code that is more flexible and more efficient. We therefore present PLUMED 2 here—a complete rewrite of the code in an object-oriented programming language (C++). This new version introduces greater flexibility and greater modularity, which both extends its core capabilities and makes it far easier to add new methods and CVs. It also has a simpler interface with the MD engines and provides a single software library containing both tools and core facilities. Ultimately, the new code better serves the ever-growing community of users and contributors in coping with the new challenges arising in the field.
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Cites
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Cited by
Abraham, M. J., Murtola, T., Schulz, R., Páll, S., Smith, J. C., Hess, B., & Lindahl, E. (2015) · SoftwareX · doi:10.1016/j.softx.2015.06.001 · Cited by 27,190
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QuantumATK: an integrated platform of electronic and atomic-scale modelling tools
Smidstrup, S., Markussen, T., Vancraeyveld, P., Wellendorff, J., Schneider, J., Gunst, T., Verstichel, B., Stradi, D., Khomyakov, P. A., Vej-Hansen, U. G., et al. (2020) · Journal of Physics: Condensed Matter · doi:10.1088/1361-648x/ab4007 · Cited by 1,920
Barely porous organic cages for hydrogen isotope separation
Liu, M., Zhang, L., Little, M. A., Kapil, V., Ceriotti, M., Yang, S., Ding, L., Holden, D. L., Balderas-Xicohténcatl, R., He, D., et al. (2019) · Science · doi:10.1126/science.aax7427 · Cited by 399
Variational Approach to Enhanced Sampling and Free Energy Calculations
Valsson, O., & Parrinello, M. (2014) · Physical Review Letters · doi:10.1103/physrevlett.113.090601 · Cited by 336
Metadata
- Authors
- Tribello, G. A., Bonomi, M., Branduardi, D., Camilloni, C., & Bussi, G.
- Venue
- Computer Physics Communications
- Publisher
- Elsevier BV
- Published
- 2014-02
- Volume
- 185
- Issue
- 2
- Pages
- 604-613
- ISSN
- 0010-4655 (ISSN-L)
- OpenAlex
- W2146411229
- Cited by
- 3,479
- References
- 7
- FWCI
- 41.75
- Type
- journal article
- Language
- en
- Open access
- bronze
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