CINECA IRIS Institutional Research Information System
IRIS è la soluzione IT che facilita la raccolta e la gestione dei dati relativi alle attività e ai prodotti della ricerca. Fornisce a ricercatori, amministratori e valutatori gli strumenti per monitorare i risultati della ricerca, aumentarne la visibilità e allocare in modo efficace le risorse disponibili.
EnglishThe metadynamics method, recently proposed by Laio and Parrinello as a general tool to map multidimensional free-energy landscapes [A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A.99, 12562 (2002)], has been exploited with the aim of illustrating the properties of generalized thermodynamic potentials across a discontinuous phase transition. Virtues and limitations of the method are discussed in the exemplifying case of the freezing of a Lennard-Jones fluid in two dimensions.
http://hdl.handle.net/11570/9405| Titolo: | Liquid-solid coexistence via the metadynamics approach |
| Autori interni: | PRESTIPINO GIARRITTA, Santi GIAQUINTA, Paolo Vittorio |
| Data di pubblicazione: | 2008 |
| Rivista: | THE JOURNAL OF CHEMICAL PHYSICS |
| Abstract: | The metadynamics method, recently proposed by Laio and Parrinello as a general tool to map multidimensional free-energy landscapes [A. Laio and M. Parrinello, Proc. Natl. Acad. Sci. U.S.A.99, 12562 (2002)], has been exploited with the aim of illustrating the properties of generalized thermodynamic potentials across a discontinuous phase transition. Virtues and limitations of the method are discussed in the exemplifying case of the freezing of a Lennard-Jones fluid in two dimensions. |
| Handle: | http://hdl.handle.net/11570/9405 |
| Appare nelle tipologie: | 14.a.1 Articolo su rivista |
File in questo prodotto:
Copyright © 2017