Molecular Dynamics Simulation:
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | Undetermined |
| Veröffentlicht: |
[s.l.]
MDPI AG - Multidisciplinary Digital Publishing Institute
2014
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | 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. [...] |
| Beschreibung: | 1 Online-Ressource (628 S.) |
Internformat
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| 500 | |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. [...] | ||
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| 650 | 4 | |a Multiparticle Collision | |
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| 650 | 4 | |a Malliavin Weight Sampling | |
| 650 | 4 | |a Nonadiabatic Molecular Dynamics | |
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| id | DE-604.BV042566972 |
| illustrated | Not Illustrated |
| indexdate | 2024-10-19T04:07:52Z |
| institution | BVB |
| language | Undetermined |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-028000597 |
| oclc_num | 910937754 |
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| physical | 1 Online-Ressource (628 S.) |
| psigel | ZDB-94-OAB |
| publishDate | 2014 |
| publishDateSearch | 2014 |
| publishDateSort | 2014 |
| publisher | MDPI AG - Multidisciplinary Digital Publishing Institute |
| record_format | marc |
| spellingShingle | Molecular Dynamics Simulation Computer Simulations Multiparticle Collision Markov State Models Molecular Dynamics Malliavin Weight Sampling Nonadiabatic Molecular Dynamics |
| title | Molecular Dynamics Simulation |
| title_auth | Molecular Dynamics Simulation |
| title_exact_search | Molecular Dynamics Simulation |
| title_full | Molecular Dynamics Simulation |
| title_fullStr | Molecular Dynamics Simulation |
| title_full_unstemmed | Molecular Dynamics Simulation |
| title_short | Molecular Dynamics Simulation |
| title_sort | molecular dynamics simulation |
| topic | Computer Simulations Multiparticle Collision Markov State Models Molecular Dynamics Malliavin Weight Sampling Nonadiabatic Molecular Dynamics |
| topic_facet | Computer Simulations Multiparticle Collision Markov State Models Molecular Dynamics Malliavin Weight Sampling Nonadiabatic Molecular Dynamics |
| url | http://www.doabooks.org/doab?func=fulltext&rid=16625 |