Ab initio molecular dynamics : basic theory and advanced methods /
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| Formato: | Libro |
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Cambridge ; New York :
Cambridge University Press,
2009.
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| Acceso en línea: | Información biográfica Reseña Indice |
| LEADER | 02044cam#a22003977a#4500 | ||
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| 008 | 100301s2009####enka###f#bi###001#0#eng#d | ||
| 005 | 20121030134602.0 | ||
| 003 | AR-BCCAB | ||
| 245 | 1 | 0 | |a Ab initio molecular dynamics : |b basic theory and advanced methods / |c Dominik Marx and Jürg Hutter. |
| 260 | # | # | |a Cambridge ; |a New York : |b Cambridge University Press, |c 2009. |
| 300 | # | # | |a x, 567 p. : |b il. ; |c 26 cm. |
| 504 | # | # | |a Incluye referencias bibliográficas (p. 419-549) e índices. |
| 505 | 0 | # | |a Setting the stage : why ab initio molecular dynamics? -- Getting started : unifying MD and electronic structure -- Implementation : using the plane wave basis set -- Atoms with plane waves : accurate pseudopotentials -- Beyond standard ab initio molecular dynamics -- Beyond norm-conserving pseudopotentials -- Computing properties -- Parallel computing -- From materials to biomolecules -- Properties from ab initio simulations. |
| 020 | # | # | |a 9780521898638 |
| 020 | # | # | |a 0521898633 |
| 100 | 1 | # | |a Marx, Dominik. |
| 700 | 1 | # | |a Hutter, Jürg. |
| 080 | # | # | |a 539.19:519.6 |
| 650 | # | 0 | |a Molecular dynamics |x Computer simulation. |
| 650 | # | 7 | |a Many-body problem. |2 inist |
| 650 | # | 7 | |a Computerized simulation. |2 inist |
| 650 | # | 7 | |a Problema multicuerpo. |2 inist |
| 650 | # | 7 | |a Simulación computarizada. |2 inist |
| 010 | # | # | |a ##2010286603 |
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| 050 | 0 | 0 | |a QD461 |b .M286 2009 |
| 070 | # | # | |a QD461 |b .M287 2009 |
| 856 | 4 | 2 | |3 Información biográfica |u http://www.loc.gov/catdir/enhancements/fy1007/2010286603-b.html |
| 856 | 4 | 2 | |3 Reseña |u http://www.loc.gov/catdir/enhancements/fy1007/2010286603-d.html |
| 856 | 4 | 1 | |3 Indice |u http://www.loc.gov/catdir/enhancements/fy1007/2010286603-t.html |
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