Molecular Dynamics Simulation
Condensed matter systems, ranging from simple fluids and solids to complex multicomponent materials and even biological matter, are governed by well understood laws of physics, within the formal theoretical framework of quantum theory and statistical mechanics. On the relevant scales of length and t...
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| Format: | Electronic Book Chapter |
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| Language: | English |
| Published: |
MDPI - Multidisciplinary Digital Publishing Institute
2014
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| Subjects: | |
| Online Access: | DOAB: download the publication DOAB: description of the publication |
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| 245 | 1 | 0 | |a Molecular Dynamics Simulation |
| 260 | |b MDPI - Multidisciplinary Digital Publishing Institute |c 2014 | ||
| 300 | |a 1 electronic resource (628 p.) | ||
| 336 | |a text |b txt |2 rdacontent | ||
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| 338 | |a online resource |b cr |2 rdacarrier | ||
| 506 | 0 | |a Open Access |2 star |f Unrestricted online access | |
| 520 | |a Condensed matter systems, ranging from simple fluids and solids to complex multicomponent materials and even biological matter, are governed by well understood laws of physics, within the formal theoretical framework of quantum theory and statistical mechanics. On the relevant scales of length and time, the appropriate 'first-principles' description needs only the Schroedinger equation together with Gibbs averaging over the relevant statistical ensemble. However, this program cannot be carried out straightforwardly-dealing with electron correlations is still a challenge for the methods of quantum chemistry. Similarly, standard statistical mechanics makes precise explicit statements only on the properties of systems for which the many-body problem can be effectively reduced to one of independent particles or quasi-particles. [...] | ||
| 540 | |a Creative Commons |f https://creativecommons.org/licenses/by/4.0/ |2 cc |4 https://creativecommons.org/licenses/by/4.0/ | ||
| 546 | |a English | ||
| 653 | |a Malliavin Weight Sampling | ||
| 653 | |a Molecular Dynamics | ||
| 653 | |a Nonadiabatic Molecular Dynamics | ||
| 653 | |a Markov State Models | ||
| 653 | |a Computer Simulations | ||
| 653 | |a Multiparticle Collision | ||
| 856 | 4 | 0 | |a www.oapen.org |u https://www.mdpi.com/books/pdfview/book/75 |7 0 |z DOAB: download the publication |
| 856 | 4 | 0 | |a www.oapen.org |u https://directory.doabooks.org/handle/20.500.12854/53835 |7 0 |z DOAB: description of the publication |