Molecular dynamics: with deterministic and stochastic numerical methods
Gespeichert in:
| Hauptverfasser: | , |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Cham ; Heidelberg ; New York ; Dordrecht ; London
Springer
[2015]
|
| Schriftenreihe: | Interdisciplinary applied mathematics
39 |
| Schlagworte: | |
| Online-Zugang: | BTU01 FRO01 FUBA1 TUM01 UBM01 UBT01 UBW01 UPA01 Volltext Inhaltsverzeichnis Abstract |
| Beschreibung: | 1 Online-Ressource (XXII, 443 Seiten) Illustrationen, Diagramme |
| ISBN: | 9783319163758 |
| DOI: | 10.1007/978-3-319-16375-8 |
Internformat
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Datensatz im Suchindex
| _version_ | 1804174754862596096 |
|---|---|
| adam_text | MOLECULAR DYNAMICS
/ LEIMKUHLER, BEN
: 2015
TABLE OF CONTENTS / INHALTSVERZEICHNIS
1.INTRODUCTION
2.NUMERICAL INTEGRATORS
3.ANALYZING GEOMETRIC INTEGRATORS
4.THE STABILITY THRESHOLD
5.PHASE SPACE DISTRIBUTIONS AND MICROCANONICAL AVERAGES
6. THE CANONICAL DISTRIBUTION AND STOCHASTIC DIFFERENTIAL EQUATIONS
7. NUMERICAL METHODS FOR STOCHASTIC MOLECULAR DYNAMICS
8. EXTENDED VARIABLE METHODS
REFERENCES
INDEX
DIESES SCHRIFTSTUECK WURDE MASCHINELL ERZEUGT.
MOLECULAR DYNAMICS
/ LEIMKUHLER, BEN
: 2015
ABSTRACT / INHALTSTEXT
THIS BOOK DESCRIBES THE MATHEMATICAL UNDERPINNINGS OF ALGORITHMS USED
FOR MOLECULAR DYNAMICS SIMULATION, INCLUDING BOTH DETERMINISTIC AND
STOCHASTIC NUMERICAL METHODS.MOLECULAR DYNAMICS IS ONE OF THE MOST
VERSATILE AND POWERFUL METHODS OF MODERN COMPUTATIONAL SCIENCE AND
ENGINEERING AND IS USED WIDELY IN CHEMISTRY, PHYSICS, MATERIALS SCIENCE
AND BIOLOGY.UNDERSTANDING THE FOUNDATIONS OF NUMERICAL METHODS MEANS
KNOWING HOW TO SELECT THE BEST ONE FOR A GIVEN PROBLEM (FROM THE WIDE
RANGE OF TECHNIQUES ON OFFER) AND HOW TO CREATE NEW, EFFICIENT METHODS
TO ADDRESS PARTICULAR CHALLENGES AS THEY ARISE IN COMPLEX
APPLICATIONS. AIMED AT A BROAD AUDIENCE, THIS BOOK PRESENTS THE BASIC
THEORY OF HAMILTONIAN MECHANICS AND STOCHASTIC DIFFERENTIAL EQUATIONS,
AS WELL AS TOPICS INCLUDING SYMPLECTIC NUMERICAL METHODS, THE HANDLING
OF CONSTRAINTS AND RIGID BODIES, THE EFFICIENT TREATMENT OF LANGEVIN
DYNAMICS, THERMOSTATS TO CONTROL THE MOLECULAR ENSEMBLE, MULTIPLE
TIME-STEPPING, AND THE DISSIPATIVE PARTICLE DYNAMICS METHOD.
DIESES SCHRIFTSTUECK WURDE MASCHINELL ERZEUGT.
|
| any_adam_object | 1 |
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| author_sort | Leimkuhler, B. 1961- |
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| dewey-raw | 519 |
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| discipline | Mathematik |
| doi_str_mv | 10.1007/978-3-319-16375-8 |
| format | Electronic eBook |
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| indexdate | 2024-07-10T07:05:25Z |
| institution | BVB |
| isbn | 9783319163758 |
| language | English |
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| spelling | Leimkuhler, B. 1961- Verfasser (DE-588)1072086891 aut Molecular dynamics with deterministic and stochastic numerical methods Ben Leimkuhler ; Charles Matthews Cham ; Heidelberg ; New York ; Dordrecht ; London Springer [2015] © 2015 1 Online-Ressource (XXII, 443 Seiten) Illustrationen, Diagramme txt rdacontent c rdamedia cr rdacarrier Interdisciplinary applied mathematics 39 Mathematics Applications of Mathematics Mathematical and Computational Biology Mathematik Molekulardynamik (DE-588)4170370-4 gnd rswk-swf Molekulardynamik (DE-588)4170370-4 s DE-604 Matthews, Charles 1954- Verfasser (DE-588)138830304 aut Erscheint auch als Druck-Ausgabe 978-3-319-16374-1 (DE-604)BV042622278 Interdisciplinary applied mathematics 39 (DE-604)BV039839973 39 https://doi.org/10.1007/978-3-319-16375-8 Verlag URL des Erstveröffentlichers Volltext Springer Fremddatenuebernahme application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=028025369&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Springer Fremddatenuebernahme application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=028025369&sequence=000003&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Abstract |
| spellingShingle | Leimkuhler, B. 1961- Matthews, Charles 1954- Molecular dynamics with deterministic and stochastic numerical methods Interdisciplinary applied mathematics Mathematics Applications of Mathematics Mathematical and Computational Biology Mathematik Molekulardynamik (DE-588)4170370-4 gnd |
| subject_GND | (DE-588)4170370-4 |
| title | Molecular dynamics with deterministic and stochastic numerical methods |
| title_auth | Molecular dynamics with deterministic and stochastic numerical methods |
| title_exact_search | Molecular dynamics with deterministic and stochastic numerical methods |
| title_full | Molecular dynamics with deterministic and stochastic numerical methods Ben Leimkuhler ; Charles Matthews |
| title_fullStr | Molecular dynamics with deterministic and stochastic numerical methods Ben Leimkuhler ; Charles Matthews |
| title_full_unstemmed | Molecular dynamics with deterministic and stochastic numerical methods Ben Leimkuhler ; Charles Matthews |
| title_short | Molecular dynamics |
| title_sort | molecular dynamics with deterministic and stochastic numerical methods |
| title_sub | with deterministic and stochastic numerical methods |
| topic | Mathematics Applications of Mathematics Mathematical and Computational Biology Mathematik Molekulardynamik (DE-588)4170370-4 gnd |
| topic_facet | Mathematics Applications of Mathematics Mathematical and Computational Biology Mathematik Molekulardynamik |
| url | https://doi.org/10.1007/978-3-319-16375-8 http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=028025369&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=028025369&sequence=000003&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
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