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...
Wedi'i Gadw mewn:
| Fformat: | Online |
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| Iaith: | Saesneg |
| Cyhoeddwyd: |
MDPI - Multidisciplinary Digital Publishing Institute
2021
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| Pynciau: | |
| Mynediad Ar-lein: | 16625 |
| Tagiau: |
Dim Tagiau, Byddwch y cyntaf i dagio'r cofnod hwn!
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| _version_ | 1869531320063885312 |
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| collection | Directory of Open Access Books |
| description | 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. [...] |
| format | Online |
| id | doab-20.500.12854ir-53835 |
| institution | Directory of Open Access Books |
| language | eng |
| publishDate | 2021 |
| publishDateRange | 2021 |
| publishDateSort | 2021 |
| publisher | MDPI - Multidisciplinary Digital Publishing Institute |
| publisherStr | MDPI - Multidisciplinary Digital Publishing Institute |
| record_format | ojs |
| spelling | doab-20.500.12854ir-538352022-01-31T11:19:20Z Molecular Dynamics Simulation Malliavin Weight Sampling Molecular Dynamics Nonadiabatic Molecular Dynamics Markov State Models Computer Simulations Multiparticle Collision 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. [...] 2021-02-11T20:04:34Z 2021-02-11T20:04:34Z 2015-01-12 11:36:09 2014 book 16625 9783906980669 9783906980652 https://directory.doabooks.org/handle/20.500.12854/53835 eng application/octet-stream Attribution 4.0 International https://www.mdpi.com/books/pdfview/book/75 https://www.mdpi.com/books/pdfview/book/75 MDPI - Multidisciplinary Digital Publishing Institute 46cabcaa-dd94-4bfe-87b4-55023c1b36d0 9783906980669 9783906980652 628 open access |
| spellingShingle | Malliavin Weight Sampling Molecular Dynamics Nonadiabatic Molecular Dynamics Markov State Models Computer Simulations Multiparticle Collision Molecular Dynamics Simulation |
| title | 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 | Malliavin Weight Sampling Molecular Dynamics Nonadiabatic Molecular Dynamics Markov State Models Computer Simulations Multiparticle Collision |
| topic_facet | Malliavin Weight Sampling Molecular Dynamics Nonadiabatic Molecular Dynamics Markov State Models Computer Simulations Multiparticle Collision |
| url | 16625 |