Understanding molecular simulation :: from algorithms to applications /
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given applicatio...
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
San Diego :
Academic Press,
[2002]
|
| Ausgabe: | 2nd ed. |
| Schriftenreihe: | Computational science (San Diego, Calif.)
|
| Schlagworte: | |
| Online-Zugang: | Volltext Volltext |
| Zusammenfassung: | Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in. |
| Beschreibung: | 1 online resource (xxii, 638 pages) : illustrations |
| Bibliographie: | Includes bibliographical references (pages 589-617) and index. |
| ISBN: | 9780080519982 0080519989 9786611019747 661101974X |
Internformat
MARC
| LEADER | 00000cam a2200000 i 4500 | ||
|---|---|---|---|
| 001 | ZDB-4-EBA-ocn173686073 | ||
| 003 | OCoLC | ||
| 005 | 20241004212047.0 | ||
| 006 | m o d | ||
| 007 | cr mn||||||||| | ||
| 008 | 071005t20022002caua ob 001 0 eng d | ||
| 040 | |a N$T |b eng |e rda |e pn |c N$T |d YDXCP |d OCLCQ |d CDX |d OCLCQ |d EBLCP |d IDEBK |d OCLCQ |d ZCU |d OKU |d E7B |d MHW |d OCLCQ |d OCLCF |d OCLCQ |d OPELS |d DEBSZ |d UIU |d COO |d OSU |d OCLCQ |d LOA |d AGLDB |d MOR |d LIP |d PIFAG |d MERUC |d OCLCQ |d U3W |d KIJ |d STF |d WRM |d D6H |d OCLCQ |d SOI |d VTS |d ICG |d INT |d VT2 |d OCLCQ |d WYU |d OCLCQ |d LEAUB |d DKC |d OCLCQ |d M8D |d OCLCQ |d UKCRE |d MM9 |d EUN |d OCLCO |d OCLCQ |d LUU |d OCLCQ |d OCLCO |d OCLCL |d EZC | ||
| 019 | |a 162129443 |a 507620362 |a 518427147 |a 648306887 |a 961626801 |a 962628346 |a 966182208 |a 988483281 |a 990597788 |a 992093434 |a 1034932491 |a 1035650358 |a 1037710309 |a 1038625550 |a 1055402860 |a 1066578088 |a 1081216391 |a 1153504958 |a 1170709164 |a 1180946003 |a 1228535937 | ||
| 020 | |a 9780080519982 |q (electronic bk.) | ||
| 020 | |a 0080519989 |q (electronic bk.) | ||
| 020 | |a 9786611019747 | ||
| 020 | |a 661101974X | ||
| 020 | |z 9780122673511 |q (alk. paper) | ||
| 020 | |z 0122673514 |q (alk. paper) | ||
| 035 | |a (OCoLC)173686073 |z (OCoLC)162129443 |z (OCoLC)507620362 |z (OCoLC)518427147 |z (OCoLC)648306887 |z (OCoLC)961626801 |z (OCoLC)962628346 |z (OCoLC)966182208 |z (OCoLC)988483281 |z (OCoLC)990597788 |z (OCoLC)992093434 |z (OCoLC)1034932491 |z (OCoLC)1035650358 |z (OCoLC)1037710309 |z (OCoLC)1038625550 |z (OCoLC)1055402860 |z (OCoLC)1066578088 |z (OCoLC)1081216391 |z (OCoLC)1153504958 |z (OCoLC)1170709164 |z (OCoLC)1180946003 |z (OCoLC)1228535937 | ||
| 037 | |a 89632:89632 |b Elsevier Science & Technology |n http://www.sciencedirect.com | ||
| 050 | 4 | |a QD461 |b .F86 2002eb | |
| 072 | 7 | |a SCI |x 074000 |2 bisacsh | |
| 082 | 7 | |a 539/.6/0113 |2 22 | |
| 049 | |a MAIN | ||
| 100 | 1 | |a Frenkel, Daan, |d 1948- |e author. |1 https://id.oclc.org/worldcat/entity/E39PBJfcPtxxypgf8dtbVWvT73 |0 http://id.loc.gov/authorities/names/n87932490 | |
| 245 | 1 | 0 | |a Understanding molecular simulation : |b from algorithms to applications / |c Daan Frenkel, Berend Smit. |
| 250 | |a 2nd ed. | ||
| 264 | 1 | |a San Diego : |b Academic Press, |c [2002] | |
| 264 | 4 | |c ©2002 | |
| 300 | |a 1 online resource (xxii, 638 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
| 337 | |a computer |b c |2 rdamedia | ||
| 338 | |a online resource |b cr |2 rdacarrier | ||
| 490 | 1 | |a Computational science series ; |v 1 | |
| 520 | |a Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in. | ||
| 504 | |a Includes bibliographical references (pages 589-617) and index. | ||
| 505 | 0 | |a Statistical mechanics -- Monte Carlo simulations -- Molecular dynamics simulations -- Monte Carlo simulations in various ensembles -- Molecular dynamics in various ensembles -- Free energy calculations -- The Gibbs ensemble -- Other methods to study coexistence -- Free energies of solids -- Free energy of chain molecules -- Long-range interactions -- Biased Monte Carlo schemes -- Accelerating Monte Carlo sampling -- Tackling time-scale problems -- Rare events -- Dissipative particle dynamics. | |
| 588 | 0 | |a Print version record. | |
| 650 | 0 | |a Intermolecular forces |x Computer simulation. | |
| 650 | 0 | |a Molecules |x Mathematical models. | |
| 650 | 6 | |a Forces intermoléculaires |x Simulation par ordinateur. | |
| 650 | 6 | |a Molécules |x Modèles mathématiques. | |
| 650 | 7 | |a SCIENCE |x Physics |x Atomic & Molecular. |2 bisacsh | |
| 650 | 7 | |a Intermolecular forces |x Computer simulation |2 fast | |
| 650 | 7 | |a Molecules |x Mathematical models |2 fast | |
| 650 | 1 | 7 | |a Simulatiemodellen. |2 gtt |
| 650 | 1 | 7 | |a Monte Carlo-methode. |2 gtt |
| 650 | 1 | 7 | |a Statistische mechanica. |2 gtt |
| 650 | 1 | 7 | |a Moleculaire dynamica. |2 gtt |
| 650 | 1 | 7 | |a Vrije energie. |2 gtt |
| 650 | 1 | 7 | |a Fase-evenwichten. |2 gtt |
| 650 | 7 | |a Forças intermoleculares (simulação computacional) |2 larpcal | |
| 650 | 7 | |a Molécula (modelos matemáticos) |2 larpcal | |
| 650 | 7 | |a Simulação (estatística) |2 larpcal | |
| 655 | 7 | |a dissertations. |2 aat | |
| 655 | 7 | |a Academic theses |2 fast | |
| 655 | 7 | |a Academic theses. |2 lcgft |0 http://id.loc.gov/authorities/genreForms/gf2014026039 | |
| 655 | 7 | |a Thèses et écrits académiques. |2 rvmgf | |
| 700 | 1 | |a Smit, Berend, |d 1962- |e author. |1 https://id.oclc.org/worldcat/entity/E39PBJp9tywQ7M4HYx7hHd3fbd |0 http://id.loc.gov/authorities/names/n96041664 | |
| 758 | |i has work: |a Understanding Molecular Simulation (Text) |1 https://id.oclc.org/worldcat/entity/E39PD3H6kHXvVYRt68rg3Kvtx8 |4 https://id.oclc.org/worldcat/ontology/hasWork | ||
| 776 | 0 | 8 | |i Print version: |a Frenkel, Daan, 1948- |t Understanding molecular simulation. |b 2nd ed. |d San Diego : Academic Press, ©2002 |z 0122673514 |z 9780122673511 |w (DLC) 2001091477 |w (OCoLC)47901441 |
| 830 | 0 | |a Computational science (San Diego, Calif.) |0 http://id.loc.gov/authorities/names/no2002006908 | |
| 856 | 4 | 0 | |l FWS01 |p ZDB-4-EBA |q FWS_PDA_EBA |u https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=203101 |3 Volltext |
| 856 | 4 | 0 | |l FWS01 |p ZDB-4-EBA |q FWS_PDA_EBA |u https://www.sciencedirect.com/science/book/9780122673511 |3 Volltext |
| 938 | |a Coutts Information Services |b COUT |n 6483241 |c 51.95 GBP | ||
| 938 | |a EBL - Ebook Library |b EBLB |n EBL307221 | ||
| 938 | |a ebrary |b EBRY |n ebr10186686 | ||
| 938 | |a EBSCOhost |b EBSC |n 203101 | ||
| 938 | |a YBP Library Services |b YANK |n 2711723 | ||
| 994 | |a 92 |b GEBAY | ||
| 912 | |a ZDB-4-EBA | ||
| 049 | |a DE-863 | ||
Datensatz im Suchindex
| DE-BY-FWS_katkey | ZDB-4-EBA-ocn173686073 |
|---|---|
| _version_ | 1816881654192406528 |
| adam_text | |
| any_adam_object | |
| author | Frenkel, Daan, 1948- Smit, Berend, 1962- |
| author_GND | http://id.loc.gov/authorities/names/n87932490 http://id.loc.gov/authorities/names/n96041664 |
| author_facet | Frenkel, Daan, 1948- Smit, Berend, 1962- |
| author_role | aut aut |
| author_sort | Frenkel, Daan, 1948- |
| author_variant | d f df b s bs |
| building | Verbundindex |
| bvnumber | localFWS |
| callnumber-first | Q - Science |
| callnumber-label | QD461 |
| callnumber-raw | QD461 .F86 2002eb |
| callnumber-search | QD461 .F86 2002eb |
| callnumber-sort | QD 3461 F86 42002EB |
| callnumber-subject | QD - Chemistry |
| collection | ZDB-4-EBA |
| contents | Statistical mechanics -- Monte Carlo simulations -- Molecular dynamics simulations -- Monte Carlo simulations in various ensembles -- Molecular dynamics in various ensembles -- Free energy calculations -- The Gibbs ensemble -- Other methods to study coexistence -- Free energies of solids -- Free energy of chain molecules -- Long-range interactions -- Biased Monte Carlo schemes -- Accelerating Monte Carlo sampling -- Tackling time-scale problems -- Rare events -- Dissipative particle dynamics. |
| ctrlnum | (OCoLC)173686073 |
| dewey-full | 539/.6/0113 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 539 - Modern physics |
| dewey-raw | 539/.6/0113 |
| dewey-search | 539/.6/0113 |
| dewey-sort | 3539 16 3113 |
| dewey-tens | 530 - Physics |
| discipline | Physik |
| edition | 2nd ed. |
| format | Electronic eBook |
| fullrecord | <?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>05760cam a2200817 i 4500</leader><controlfield tag="001">ZDB-4-EBA-ocn173686073</controlfield><controlfield tag="003">OCoLC</controlfield><controlfield tag="005">20241004212047.0</controlfield><controlfield tag="006">m o d </controlfield><controlfield tag="007">cr mn|||||||||</controlfield><controlfield tag="008">071005t20022002caua ob 001 0 eng d</controlfield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">N$T</subfield><subfield code="b">eng</subfield><subfield code="e">rda</subfield><subfield code="e">pn</subfield><subfield code="c">N$T</subfield><subfield code="d">YDXCP</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">CDX</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">EBLCP</subfield><subfield code="d">IDEBK</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">ZCU</subfield><subfield code="d">OKU</subfield><subfield code="d">E7B</subfield><subfield code="d">MHW</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">OCLCF</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">OPELS</subfield><subfield code="d">DEBSZ</subfield><subfield code="d">UIU</subfield><subfield code="d">COO</subfield><subfield code="d">OSU</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">LOA</subfield><subfield code="d">AGLDB</subfield><subfield code="d">MOR</subfield><subfield code="d">LIP</subfield><subfield code="d">PIFAG</subfield><subfield code="d">MERUC</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">U3W</subfield><subfield code="d">KIJ</subfield><subfield code="d">STF</subfield><subfield code="d">WRM</subfield><subfield code="d">D6H</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">SOI</subfield><subfield code="d">VTS</subfield><subfield code="d">ICG</subfield><subfield code="d">INT</subfield><subfield code="d">VT2</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">WYU</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">LEAUB</subfield><subfield code="d">DKC</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">M8D</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">UKCRE</subfield><subfield code="d">MM9</subfield><subfield code="d">EUN</subfield><subfield code="d">OCLCO</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">LUU</subfield><subfield code="d">OCLCQ</subfield><subfield code="d">OCLCO</subfield><subfield code="d">OCLCL</subfield><subfield code="d">EZC</subfield></datafield><datafield tag="019" ind1=" " ind2=" "><subfield code="a">162129443</subfield><subfield code="a">507620362</subfield><subfield code="a">518427147</subfield><subfield code="a">648306887</subfield><subfield code="a">961626801</subfield><subfield code="a">962628346</subfield><subfield code="a">966182208</subfield><subfield code="a">988483281</subfield><subfield code="a">990597788</subfield><subfield code="a">992093434</subfield><subfield code="a">1034932491</subfield><subfield code="a">1035650358</subfield><subfield code="a">1037710309</subfield><subfield code="a">1038625550</subfield><subfield code="a">1055402860</subfield><subfield code="a">1066578088</subfield><subfield code="a">1081216391</subfield><subfield code="a">1153504958</subfield><subfield code="a">1170709164</subfield><subfield code="a">1180946003</subfield><subfield code="a">1228535937</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9780080519982</subfield><subfield code="q">(electronic bk.)</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">0080519989</subfield><subfield code="q">(electronic bk.)</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9786611019747</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">661101974X</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="z">9780122673511</subfield><subfield code="q">(alk. paper)</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="z">0122673514</subfield><subfield code="q">(alk. paper)</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)173686073</subfield><subfield code="z">(OCoLC)162129443</subfield><subfield code="z">(OCoLC)507620362</subfield><subfield code="z">(OCoLC)518427147</subfield><subfield code="z">(OCoLC)648306887</subfield><subfield code="z">(OCoLC)961626801</subfield><subfield code="z">(OCoLC)962628346</subfield><subfield code="z">(OCoLC)966182208</subfield><subfield code="z">(OCoLC)988483281</subfield><subfield code="z">(OCoLC)990597788</subfield><subfield code="z">(OCoLC)992093434</subfield><subfield code="z">(OCoLC)1034932491</subfield><subfield code="z">(OCoLC)1035650358</subfield><subfield code="z">(OCoLC)1037710309</subfield><subfield code="z">(OCoLC)1038625550</subfield><subfield code="z">(OCoLC)1055402860</subfield><subfield code="z">(OCoLC)1066578088</subfield><subfield code="z">(OCoLC)1081216391</subfield><subfield code="z">(OCoLC)1153504958</subfield><subfield code="z">(OCoLC)1170709164</subfield><subfield code="z">(OCoLC)1180946003</subfield><subfield code="z">(OCoLC)1228535937</subfield></datafield><datafield tag="037" ind1=" " ind2=" "><subfield code="a">89632:89632</subfield><subfield code="b">Elsevier Science & Technology</subfield><subfield code="n">http://www.sciencedirect.com</subfield></datafield><datafield tag="050" ind1=" " ind2="4"><subfield code="a">QD461</subfield><subfield code="b">.F86 2002eb</subfield></datafield><datafield tag="072" ind1=" " ind2="7"><subfield code="a">SCI</subfield><subfield code="x">074000</subfield><subfield code="2">bisacsh</subfield></datafield><datafield tag="082" ind1="7" ind2=" "><subfield code="a">539/.6/0113</subfield><subfield code="2">22</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">MAIN</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Frenkel, Daan,</subfield><subfield code="d">1948-</subfield><subfield code="e">author.</subfield><subfield code="1">https://id.oclc.org/worldcat/entity/E39PBJfcPtxxypgf8dtbVWvT73</subfield><subfield code="0">http://id.loc.gov/authorities/names/n87932490</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Understanding molecular simulation :</subfield><subfield code="b">from algorithms to applications /</subfield><subfield code="c">Daan Frenkel, Berend Smit.</subfield></datafield><datafield tag="250" ind1=" " ind2=" "><subfield code="a">2nd ed.</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">San Diego :</subfield><subfield code="b">Academic Press,</subfield><subfield code="c">[2002]</subfield></datafield><datafield tag="264" ind1=" " ind2="4"><subfield code="c">©2002</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">1 online resource (xxii, 638 pages) :</subfield><subfield code="b">illustrations</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="a">text</subfield><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="a">computer</subfield><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="a">online resource</subfield><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="490" ind1="1" ind2=" "><subfield code="a">Computational science series ;</subfield><subfield code="v">1</subfield></datafield><datafield tag="520" ind1=" " ind2=" "><subfield code="a">Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in.</subfield></datafield><datafield tag="504" ind1=" " ind2=" "><subfield code="a">Includes bibliographical references (pages 589-617) and index.</subfield></datafield><datafield tag="505" ind1="0" ind2=" "><subfield code="a">Statistical mechanics -- Monte Carlo simulations -- Molecular dynamics simulations -- Monte Carlo simulations in various ensembles -- Molecular dynamics in various ensembles -- Free energy calculations -- The Gibbs ensemble -- Other methods to study coexistence -- Free energies of solids -- Free energy of chain molecules -- Long-range interactions -- Biased Monte Carlo schemes -- Accelerating Monte Carlo sampling -- Tackling time-scale problems -- Rare events -- Dissipative particle dynamics.</subfield></datafield><datafield tag="588" ind1="0" ind2=" "><subfield code="a">Print version record.</subfield></datafield><datafield tag="650" ind1=" " ind2="0"><subfield code="a">Intermolecular forces</subfield><subfield code="x">Computer simulation.</subfield></datafield><datafield tag="650" ind1=" " ind2="0"><subfield code="a">Molecules</subfield><subfield code="x">Mathematical models.</subfield></datafield><datafield tag="650" ind1=" " ind2="6"><subfield code="a">Forces intermoléculaires</subfield><subfield code="x">Simulation par ordinateur.</subfield></datafield><datafield tag="650" ind1=" " ind2="6"><subfield code="a">Molécules</subfield><subfield code="x">Modèles mathématiques.</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">SCIENCE</subfield><subfield code="x">Physics</subfield><subfield code="x">Atomic & Molecular.</subfield><subfield code="2">bisacsh</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Intermolecular forces</subfield><subfield code="x">Computer simulation</subfield><subfield code="2">fast</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Molecules</subfield><subfield code="x">Mathematical models</subfield><subfield code="2">fast</subfield></datafield><datafield tag="650" ind1="1" ind2="7"><subfield code="a">Simulatiemodellen.</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1="1" ind2="7"><subfield code="a">Monte Carlo-methode.</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1="1" ind2="7"><subfield code="a">Statistische mechanica.</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1="1" ind2="7"><subfield code="a">Moleculaire dynamica.</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1="1" ind2="7"><subfield code="a">Vrije energie.</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1="1" ind2="7"><subfield code="a">Fase-evenwichten.</subfield><subfield code="2">gtt</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Forças intermoleculares (simulação computacional)</subfield><subfield code="2">larpcal</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Molécula (modelos matemáticos)</subfield><subfield code="2">larpcal</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Simulação (estatística)</subfield><subfield code="2">larpcal</subfield></datafield><datafield tag="655" ind1=" " ind2="7"><subfield code="a">dissertations.</subfield><subfield code="2">aat</subfield></datafield><datafield tag="655" ind1=" " ind2="7"><subfield code="a">Academic theses</subfield><subfield code="2">fast</subfield></datafield><datafield tag="655" ind1=" " ind2="7"><subfield code="a">Academic theses.</subfield><subfield code="2">lcgft</subfield><subfield code="0">http://id.loc.gov/authorities/genreForms/gf2014026039</subfield></datafield><datafield tag="655" ind1=" " ind2="7"><subfield code="a">Thèses et écrits académiques.</subfield><subfield code="2">rvmgf</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Smit, Berend,</subfield><subfield code="d">1962-</subfield><subfield code="e">author.</subfield><subfield code="1">https://id.oclc.org/worldcat/entity/E39PBJp9tywQ7M4HYx7hHd3fbd</subfield><subfield code="0">http://id.loc.gov/authorities/names/n96041664</subfield></datafield><datafield tag="758" ind1=" " ind2=" "><subfield code="i">has work:</subfield><subfield code="a">Understanding Molecular Simulation (Text)</subfield><subfield code="1">https://id.oclc.org/worldcat/entity/E39PD3H6kHXvVYRt68rg3Kvtx8</subfield><subfield code="4">https://id.oclc.org/worldcat/ontology/hasWork</subfield></datafield><datafield tag="776" ind1="0" ind2="8"><subfield code="i">Print version:</subfield><subfield code="a">Frenkel, Daan, 1948-</subfield><subfield code="t">Understanding molecular simulation.</subfield><subfield code="b">2nd ed.</subfield><subfield code="d">San Diego : Academic Press, ©2002</subfield><subfield code="z">0122673514</subfield><subfield code="z">9780122673511</subfield><subfield code="w">(DLC) 2001091477</subfield><subfield code="w">(OCoLC)47901441</subfield></datafield><datafield tag="830" ind1=" " ind2="0"><subfield code="a">Computational science (San Diego, Calif.)</subfield><subfield code="0">http://id.loc.gov/authorities/names/no2002006908</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="l">FWS01</subfield><subfield code="p">ZDB-4-EBA</subfield><subfield code="q">FWS_PDA_EBA</subfield><subfield code="u">https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=203101</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="l">FWS01</subfield><subfield code="p">ZDB-4-EBA</subfield><subfield code="q">FWS_PDA_EBA</subfield><subfield code="u">https://www.sciencedirect.com/science/book/9780122673511</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="938" ind1=" " ind2=" "><subfield code="a">Coutts Information Services</subfield><subfield code="b">COUT</subfield><subfield code="n">6483241</subfield><subfield code="c">51.95 GBP</subfield></datafield><datafield tag="938" ind1=" " ind2=" "><subfield code="a">EBL - Ebook Library</subfield><subfield code="b">EBLB</subfield><subfield code="n">EBL307221</subfield></datafield><datafield tag="938" ind1=" " ind2=" "><subfield code="a">ebrary</subfield><subfield code="b">EBRY</subfield><subfield code="n">ebr10186686</subfield></datafield><datafield tag="938" ind1=" " ind2=" "><subfield code="a">EBSCOhost</subfield><subfield code="b">EBSC</subfield><subfield code="n">203101</subfield></datafield><datafield tag="938" ind1=" " ind2=" "><subfield code="a">YBP Library Services</subfield><subfield code="b">YANK</subfield><subfield code="n">2711723</subfield></datafield><datafield tag="994" ind1=" " ind2=" "><subfield code="a">92</subfield><subfield code="b">GEBAY</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">ZDB-4-EBA</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-863</subfield></datafield></record></collection> |
| genre | dissertations. aat Academic theses fast Academic theses. lcgft http://id.loc.gov/authorities/genreForms/gf2014026039 Thèses et écrits académiques. rvmgf |
| genre_facet | dissertations. Academic theses Academic theses. Thèses et écrits académiques. |
| id | ZDB-4-EBA-ocn173686073 |
| illustrated | Illustrated |
| indexdate | 2024-11-27T13:16:09Z |
| institution | BVB |
| isbn | 9780080519982 0080519989 9786611019747 661101974X |
| language | English |
| oclc_num | 173686073 |
| open_access_boolean | |
| owner | MAIN DE-863 DE-BY-FWS |
| owner_facet | MAIN DE-863 DE-BY-FWS |
| physical | 1 online resource (xxii, 638 pages) : illustrations |
| psigel | ZDB-4-EBA |
| publishDate | 2002 |
| publishDateSearch | 2002 |
| publishDateSort | 2002 |
| publisher | Academic Press, |
| record_format | marc |
| series | Computational science (San Diego, Calif.) |
| series2 | Computational science series ; |
| spelling | Frenkel, Daan, 1948- author. https://id.oclc.org/worldcat/entity/E39PBJfcPtxxypgf8dtbVWvT73 http://id.loc.gov/authorities/names/n87932490 Understanding molecular simulation : from algorithms to applications / Daan Frenkel, Berend Smit. 2nd ed. San Diego : Academic Press, [2002] ©2002 1 online resource (xxii, 638 pages) : illustrations text txt rdacontent computer c rdamedia online resource cr rdacarrier Computational science series ; 1 Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in. Includes bibliographical references (pages 589-617) and index. Statistical mechanics -- Monte Carlo simulations -- Molecular dynamics simulations -- Monte Carlo simulations in various ensembles -- Molecular dynamics in various ensembles -- Free energy calculations -- The Gibbs ensemble -- Other methods to study coexistence -- Free energies of solids -- Free energy of chain molecules -- Long-range interactions -- Biased Monte Carlo schemes -- Accelerating Monte Carlo sampling -- Tackling time-scale problems -- Rare events -- Dissipative particle dynamics. Print version record. Intermolecular forces Computer simulation. Molecules Mathematical models. Forces intermoléculaires Simulation par ordinateur. Molécules Modèles mathématiques. SCIENCE Physics Atomic & Molecular. bisacsh Intermolecular forces Computer simulation fast Molecules Mathematical models fast Simulatiemodellen. gtt Monte Carlo-methode. gtt Statistische mechanica. gtt Moleculaire dynamica. gtt Vrije energie. gtt Fase-evenwichten. gtt Forças intermoleculares (simulação computacional) larpcal Molécula (modelos matemáticos) larpcal Simulação (estatística) larpcal dissertations. aat Academic theses fast Academic theses. lcgft http://id.loc.gov/authorities/genreForms/gf2014026039 Thèses et écrits académiques. rvmgf Smit, Berend, 1962- author. https://id.oclc.org/worldcat/entity/E39PBJp9tywQ7M4HYx7hHd3fbd http://id.loc.gov/authorities/names/n96041664 has work: Understanding Molecular Simulation (Text) https://id.oclc.org/worldcat/entity/E39PD3H6kHXvVYRt68rg3Kvtx8 https://id.oclc.org/worldcat/ontology/hasWork Print version: Frenkel, Daan, 1948- Understanding molecular simulation. 2nd ed. San Diego : Academic Press, ©2002 0122673514 9780122673511 (DLC) 2001091477 (OCoLC)47901441 Computational science (San Diego, Calif.) http://id.loc.gov/authorities/names/no2002006908 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=203101 Volltext FWS01 ZDB-4-EBA FWS_PDA_EBA https://www.sciencedirect.com/science/book/9780122673511 Volltext |
| spellingShingle | Frenkel, Daan, 1948- Smit, Berend, 1962- Understanding molecular simulation : from algorithms to applications / Computational science (San Diego, Calif.) Statistical mechanics -- Monte Carlo simulations -- Molecular dynamics simulations -- Monte Carlo simulations in various ensembles -- Molecular dynamics in various ensembles -- Free energy calculations -- The Gibbs ensemble -- Other methods to study coexistence -- Free energies of solids -- Free energy of chain molecules -- Long-range interactions -- Biased Monte Carlo schemes -- Accelerating Monte Carlo sampling -- Tackling time-scale problems -- Rare events -- Dissipative particle dynamics. Intermolecular forces Computer simulation. Molecules Mathematical models. Forces intermoléculaires Simulation par ordinateur. Molécules Modèles mathématiques. SCIENCE Physics Atomic & Molecular. bisacsh Intermolecular forces Computer simulation fast Molecules Mathematical models fast Simulatiemodellen. gtt Monte Carlo-methode. gtt Statistische mechanica. gtt Moleculaire dynamica. gtt Vrije energie. gtt Fase-evenwichten. gtt Forças intermoleculares (simulação computacional) larpcal Molécula (modelos matemáticos) larpcal Simulação (estatística) larpcal |
| subject_GND | http://id.loc.gov/authorities/genreForms/gf2014026039 |
| title | Understanding molecular simulation : from algorithms to applications / |
| title_auth | Understanding molecular simulation : from algorithms to applications / |
| title_exact_search | Understanding molecular simulation : from algorithms to applications / |
| title_full | Understanding molecular simulation : from algorithms to applications / Daan Frenkel, Berend Smit. |
| title_fullStr | Understanding molecular simulation : from algorithms to applications / Daan Frenkel, Berend Smit. |
| title_full_unstemmed | Understanding molecular simulation : from algorithms to applications / Daan Frenkel, Berend Smit. |
| title_short | Understanding molecular simulation : |
| title_sort | understanding molecular simulation from algorithms to applications |
| title_sub | from algorithms to applications / |
| topic | Intermolecular forces Computer simulation. Molecules Mathematical models. Forces intermoléculaires Simulation par ordinateur. Molécules Modèles mathématiques. SCIENCE Physics Atomic & Molecular. bisacsh Intermolecular forces Computer simulation fast Molecules Mathematical models fast Simulatiemodellen. gtt Monte Carlo-methode. gtt Statistische mechanica. gtt Moleculaire dynamica. gtt Vrije energie. gtt Fase-evenwichten. gtt Forças intermoleculares (simulação computacional) larpcal Molécula (modelos matemáticos) larpcal Simulação (estatística) larpcal |
| topic_facet | Intermolecular forces Computer simulation. Molecules Mathematical models. Forces intermoléculaires Simulation par ordinateur. Molécules Modèles mathématiques. SCIENCE Physics Atomic & Molecular. Intermolecular forces Computer simulation Molecules Mathematical models Simulatiemodellen. Monte Carlo-methode. Statistische mechanica. Moleculaire dynamica. Vrije energie. Fase-evenwichten. Forças intermoleculares (simulação computacional) Molécula (modelos matemáticos) Simulação (estatística) dissertations. Academic theses Academic theses. Thèses et écrits académiques. |
| url | https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=203101 https://www.sciencedirect.com/science/book/9780122673511 |
| work_keys_str_mv | AT frenkeldaan understandingmolecularsimulationfromalgorithmstoapplications AT smitberend understandingmolecularsimulationfromalgorithmstoapplications |