Free energy computations: a mathematical perspective
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
London ; Hackensack, N.J.
Imperial College Press
2010
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| Schlagworte: | |
| Beschreibung: | Print version record |
| Beschreibung: | 1 online resource (xii, 458 pages) illustrations |
| ISBN: | 9781848162488 1848162480 |
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| 245 | 1 | 0 | |a Free energy computations |b a mathematical perspective |c Tony Lelievre, Mathias Rousset, Gabriel Stoltz |
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| 505 | 8 | |a 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 | |
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Datensatz im Suchindex
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| author | Lelievre, Tony |
| author_facet | Lelievre, Tony |
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| contents | 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 |
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| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 536 - Heat |
| dewey-raw | 536/.7 |
| dewey-search | 536/.7 |
| dewey-sort | 3536 17 |
| dewey-tens | 530 - Physics |
| discipline | Physik |
| format | Electronic eBook |
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| id | DE-604.BV045344406 |
| illustrated | Illustrated |
| indexdate | 2024-07-10T08:15:30Z |
| institution | BVB |
| isbn | 9781848162488 1848162480 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-030731110 |
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| physical | 1 online resource (xii, 458 pages) illustrations |
| psigel | ZDB-4-ENC |
| publishDate | 2010 |
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| publisher | Imperial College Press |
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| spelling | Lelievre, Tony Verfasser aut Free energy computations a mathematical perspective Tony Lelievre, Mathias Rousset, Gabriel Stoltz London ; Hackensack, N.J. Imperial College Press 2010 1 online resource (xii, 458 pages) illustrations txt rdacontent c rdamedia cr rdacarrier Print version record 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 SCIENCE / Mechanics / Thermodynamics bisacsh Gibbs' free energy fast Statistical physics / Mathematical models fast Gibbs' free energy Statistical physics Mathematical models Freie Energie (DE-588)4155282-9 gnd rswk-swf Numerisches Verfahren (DE-588)4128130-5 gnd rswk-swf Freie Energie (DE-588)4155282-9 s Numerisches Verfahren (DE-588)4128130-5 s 1\p DE-604 Stoltz, Gabriel Sonstige oth Rousset, Mathias 1980- Sonstige oth Erscheint auch als Druck-Ausgabe Lelievre, Tony Free energy computations London ; Hackensack, N.J. : Imperial College Press, 2010 9781848162471 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Lelievre, Tony Free energy computations a mathematical perspective 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 SCIENCE / Mechanics / Thermodynamics bisacsh Gibbs' free energy fast Statistical physics / Mathematical models fast Gibbs' free energy Statistical physics Mathematical models Freie Energie (DE-588)4155282-9 gnd Numerisches Verfahren (DE-588)4128130-5 gnd |
| subject_GND | (DE-588)4155282-9 (DE-588)4128130-5 |
| title | Free energy computations a mathematical perspective |
| title_auth | Free energy computations a mathematical perspective |
| title_exact_search | Free energy computations a mathematical perspective |
| title_full | Free energy computations a mathematical perspective Tony Lelievre, Mathias Rousset, Gabriel Stoltz |
| title_fullStr | Free energy computations a mathematical perspective Tony Lelievre, Mathias Rousset, Gabriel Stoltz |
| title_full_unstemmed | Free energy computations a mathematical perspective Tony Lelievre, Mathias Rousset, Gabriel Stoltz |
| title_short | Free energy computations |
| title_sort | free energy computations a mathematical perspective |
| title_sub | a mathematical perspective |
| topic | SCIENCE / Mechanics / Thermodynamics bisacsh Gibbs' free energy fast Statistical physics / Mathematical models fast Gibbs' free energy Statistical physics Mathematical models Freie Energie (DE-588)4155282-9 gnd Numerisches Verfahren (DE-588)4128130-5 gnd |
| topic_facet | SCIENCE / Mechanics / Thermodynamics Gibbs' free energy Statistical physics / Mathematical models Gibbs' free energy Statistical physics Mathematical models Freie Energie Numerisches Verfahren |
| work_keys_str_mv | AT lelievretony freeenergycomputationsamathematicalperspective AT stoltzgabriel freeenergycomputationsamathematicalperspective AT roussetmathias freeenergycomputationsamathematicalperspective |