LEADER 00000cam a2200637Ka 4500 
001    ocn738434095 
003    OCoLC 
005    20160527040326.2 
006    m     o  d         
007    cr cnu---unuuu 
008    110705s2010    enka    ob    001 0 eng d 
010      2010005252 
019    754711838 
020    9781848162488|q(electronic book) 
020    1848162480|q(electronic book) 
020    |z9781848162471 
020    |z1848162472 
035    (OCoLC)738434095|z(OCoLC)754711838 
040    N$T|beng|epn|cN$T|dEBLCP|dE7B|dCDX|dOCLCQ|dDEBSZ|dOCLCQ
       |dMHW|dOCLCQ|dYDXCP|dI9W|dOCLCQ|dOCLCF|dOCLCQ 
049    RIDW 
050  4 QC318.E57|bL45 2010eb 
072  7 SCI|x065000|2bisacsh 
082 04 536/.7|222 
090    QC318.E57|bL45 2010eb 
100 1  Lelièvre, Tony.|0https://id.loc.gov/authorities/names/
       nb2006021127 
245 10 Free energy computations :|ba mathematical perspective /
       |cTony Lelièvre, Mathias Rousset, Gabriel Stoltz. 
264  1 London ;|aHackensack, N.J. :|bImperial College Press,
       |c[2010] 
264  4 |c©2010 
300    1 online resource (xii, 458 pages) :|billustrations 
336    text|btxt|2rdacontent 
337    computer|bc|2rdamedia 
338    online resource|bcr|2rdacarrier 
340    |gpolychrome|2rdacc 
347    text file|2rdaft 
504    Includes bibliographical references and index. 
505 0  1. Introduction. 1.1. Computational statistical physics : 
       some landmarks. 1.2. Microscopic description of physical 
       systems. 1.3. Free energy and its numerical computation. 
       1.4. Summary of the mathematical tools and structure of 
       the book -- 2. Sampling methods. 2.1. Markov chain 
       methods. 2.2. Continuous stochastic dynamics. 2.3. 
       Convergence of sampling methods. 2.4. Methods for 
       alchemical free energy differences. 2.5. Histogram methods
       -- 3. Thermodynamic integration and sampling with 
       constraints. 3.1. Introduction : the alchemical setting. 
       3.2. The reaction coordinate case : configurational space 
       sampling. 3.3. The reaction coordinate case : phase space 
       sampling -- 4. Nonequilibrium methods. 4.1. The Jarzynski 
       equality in the alchemical case. 4.2. Generalized 
       Jarzynski-Crooks fluctuation identity. 4.3. Nonequilibrium
       stochastic methods in the reaction coordi-nate case. 4.4. 
       Path sampling strategies -- 5. Adaptive methods. 5.1. 
       Adaptive algorithms : a general framework. 5.2. 
       Convergence of the adaptive biasing force method -- 6. 
       Selection. 6.1. Replica selection framework. 6.2. 
       Selection in adaptive methods. 
520    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. 
588 0  Print version record. 
590    eBooks on EBSCOhost|bEBSCO eBook Subscription Academic 
       Collection - North America 
650  0 Gibbs' free energy.|0https://id.loc.gov/authorities/
       subjects/sh85054858 
650  0 Statistical physics|0https://id.loc.gov/authorities/
       subjects/sh85127573|xMathematical models.|0https://
       id.loc.gov/authorities/subjects/sh2002007921 
650  7 Gibbs' free energy.|2fast|0https://id.worldcat.org/fast/
       942533 
650  7 Statistical physics|xMathematical models.|2fast|0https://
       id.worldcat.org/fast/1132079 
650  7 Statistical physics.|2fast|0https://id.worldcat.org/fast/
       1132076 
655  0 Electronic books. 
655  4 Electronic books. 
700 1  Stoltz, Gabriel.|0https://id.loc.gov/authorities/names/
       no2010139614 
700 1  Rousset, Mathias,|d1980-|0https://id.loc.gov/authorities/
       names/no2010139616 
776 08 |iPrint version:|aLelièvre, Tony.|tFree energy 
       computations.|dLondon ; Hackensack, N.J. : Imperial 
       College Press, ©2010|z9781848162471|w(DLC)  2010005252
       |w(OCoLC)244765923 
856 40 |uhttps://rider.idm.oclc.org/login?url=http://
       search.ebscohost.com/login.aspx?direct=true&scope=site&
       db=nlebk&AN=374863|zOnline eBook. Access restricted to 
       current Rider University students, faculty, and staff. 
856 42 |3Instructions for reading/downloading this eBook|uhttp://
       guides.rider.edu/ebooks/ebsco 
901    MARCIVE 20231220 
948    |d20160616|cEBSCO|tebscoebooksacademic|lridw 
994    92|bRID