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[null,"1.","Record Nr.",null,"UNINA9910780884803321"]
[null,null,"Autore",null,"Lelièvre Tony"]
[null,null,"Titolo",null,"Free energy computations [[electronic resource] ] : a mathematical perspective / / Tony Lelièvre, Mathias Rousset, Gabriel Stoltz"]
[null,null,"Pubbl/distr/stampa",null,"London ; ; Hackensack, N.J., : Imperial College Press, c2010"]
[null,null,"ISBN",null,"1-283-14328-3"]
[{"$nulls":4},"9786613143280"]
[{"$nulls":4},"1-84816-248-0"]
[null,null,"Descrizione fisica",null,"1 online resource (472 p.)"]
[null,null,"Disciplina",null,"536/.7"]
[null,null,"Soggetti",null,"Gibbs' free energy"]
[{"$nulls":4},"Statistical physics - Mathematical models"]
[null,null,"Lingua di pubblicazione",null,"Inglese"]
[null,null,"Formato",null,"Materiale a stampa"]
[null,null,null,"Livello bibliografico","Monografia"]
[null,null,null,"Note generali","Description based upon print version of record."]
[null,null,null,"Nota di bibliografia","Includes bibliographical references and index."]
[null,null,"Nota di contenuto",null,"Preface; Contents; 1. Introduction; 2. Sampling methods; 3. Thermodynamic integration and sampling with constraints; 4. Nonequilibrium methods; 5. Adaptive methods; 6. Selection; Appendix A Most important notation used throughout this book; Bibliography; Index"]
[null,null,null,"Sommario/riassunto","This monograph provides a general introduction to advanced computational methods for free energy calculations, from the systematic and rigorous point of view of applied mathematics. Free energy calculations in molecular dynamics have become an outstanding and increasingly broad computational field in physics, chemistry and molecular biology within the past few years, by making possible the analysis of complex molecular systems. This work proposes a new, general and rigorous presentation, intended both for practitioners interested in a mathematical treatment, and for applied mathematicians inte"]