Multiscale computational methods in chemistry and physics: [proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Physics, 5 - 7 April 2000, Eilat, Israel]
Gespeichert in:
| Weitere beteiligte Personen: | |
|---|---|
| Format: | Tagungsbericht Buch |
| Sprache: | Englisch |
| Veröffentlicht: |
Amsterdam ; Berlin <<[u.a.]>>
2001
|
| Schriftenreihe: | NATO science series 3
177 |
| Schlagwörter: | |
| Links: | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=018339210&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| Umfang: | X, 363 S. Ill., graph. Darst. |
| ISBN: | 1586031414 4274904105 |
Internformat
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| 245 | 1 | 0 | |a Multiscale computational methods in chemistry and physics |b [proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Physics, 5 - 7 April 2000, Eilat, Israel] |c ed. by Achi Brandt ... |
| 264 | 1 | |a Amsterdam ; Berlin <<[u.a.]>> |c 2001 | |
| 300 | |a X, 363 S. |b Ill., graph. Darst. | ||
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Datensatz im Suchindex
| _version_ | 1819312881706991616 |
|---|---|
| adam_text | Contents
Preface v
Chapter 1. Long Range Force Summation and Efficient Time Stepping
Multilevel Summation Methods for N-Body Interactions, R.D. Skeel 3
Multiscale Fast Summation of Long Range Charge and Dipolar Interactions,
B. Sandak and A. Brandt 6
Long Time-Step Integration Methods for Multiple Time-Scale Classical and
Quantum-Classical MD, 5. Reich 32
Langevin Stabilization of Multiscale Mollified Molecular Dynamics,
J.A. Izaguirre 34
Symplectic Molecular Dynamics Integration, D. Janezic 48
Chapter 2. Electronic Structure of Molecules and Condensed Matter
Large-Scale, Multilevel Solutions of Kohn-Sham Equations: Methodology and
Applications, J. Bernholc, E.L. Briggs, M. Buongiorno Nardelli, J.-L. Fattebert,
M. Ramamoorthy, W.G. Schmidt and D.]. Sullivan 65
Multiscale Methods for Self-Consistent Electronic Structure in Real Space,
T.L. Beck 90
Linear Multigrid Techniques in Self-Consistent Electronic Structure Calculations,
J-L. Fattebert 104
O(N log N) Multilevel Calculation of N Eigenfunctions, O.E. Livne and A. Brandt 112
Accurate Quantum Monte Carlo Treatment of Electron Correlation: Protonated
Hydrogen Clusters, P. Bokes, I. Stich and L Mitas 137
Nonlinear Evolution of Electronic Densities in Molecules, R. Baer 148
Si(001) and SiGE(OOl) Surfaces as a Multiscale Problem, P. Boguslawski 155
Chapter 3. Simulation of Lattice Models and Fluids
Renormalization Multigrid (RMG): Coarse-to-Fine Monte Carlo Acceleration and
Optimal Derivation of Macroscopic Actions, A. Brandt and D. Ron 163
Multilevel Approach in Statistical Physics of Liquids, A. Brandt and V. Ilyin 187
Exploring Overlap Barriers in Spin Glasses with Monte Carlo Simulations,
W. Janke, B.A. Berg and A. Billoire 198
Simulations of Interfaces between Coexisting Phases: Multiscale Aspects, K. Binder 207
Numerical Simulations of Ion Transport in Inhomogeneous Dielectric Environments:
Coarse Graining Considerations, P. Graf and A. Nitzan 221
Simulation of Ionization and Coulomb Explosion of Clusters in a Strong Laser Field,
/. Last and J. Jortner 224
Molecular Simulations and Coarse-Grained Theories of Liquid Crystals, M.P. Allen 226
Self-Assembly and Structured Flow in Many-Particle Systems: Techniques and
Results, DC. Rapaport 229
Chapter 4. Polymers and Biomolecules
Multiscale Problems in Polymer Simulations, K. Kremer 243
Multiscale Computation of Polymer Models, D. Bai and A. Brandt 250
The Role of Theory in Bridging Time and Length Scales in Polymer Dynamics,
G.D. Smith 267
Scaling of Random Polyampholytes — A Monte Carlo Study, A. Milchev, V. Yamakov,
R. Everaers and B. Diinweg 275
A Mapping from Atomistic Polymer Models to Coarse-Grained Models, W. Paul 285
Charge Transport in Polymer Ion Conductors: A Monte Carlo Study, O. Diirr,
W. Dieterich and A. Nitzan 288
Long-Timestep Biomolecular Dynamics Simulations: LN Performance on a
Polymerase p/DNA System, T. Schlick and L. Yang 293
From Molecular Dynamics to Conformational Dynamics in Drug Design,
P. Deuflhard 306
Efficient Monte Carlo Simulations of Biological Molecules, R.H. Swendsen 309
Chapter 5. Other Multiscale Problems and Methods
Visualization Techniques for Debugging, Control and Presentation of Multiscale
Monte Carlo and Molecular Dynamics Simulations, J. Adler, A. Hashibon,
A. Kanigel, D. Saada and I. Rosenblum 315
Numerical Difficulties Solving Time Harmonic Systems, E. Turkel 319
Dealing with Instabilities in Data Completion Problems, M. Jaoua 338
Simulation of Edge Propagation Using Level Set, Fast Marching and Dynamically
Adaptive Grid Methods within the Multiscale Framework, V. Sochnikov
and S. Efrima 342
Computational Problems in the Strong Interaction Theory of Elementary Particles,
L.L. Jenkovszky 345
Path Integrals over Fermionic Fields, M. Creutz 349
Self-Organization and Non-Self-Averaging Effects in Systems of Discrete
Auto-Catalytic Elements, 5. Solomon 351
Fast and Accurate Multiscale Methods for Image Reconstruction, A. Brandt
andM.Galun 360
Author Index 363
|
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| indexdate | 2024-12-20T13:53:47Z |
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| isbn | 1586031414 4274904105 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-018339210 |
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| physical | X, 363 S. Ill., graph. Darst. |
| publishDate | 2001 |
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| series | NATO science series 3 |
| series2 | NATO science series : Ser. 3, Computer and systems sciences |
| spellingShingle | Multiscale computational methods in chemistry and physics [proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Physics, 5 - 7 April 2000, Eilat, Israel] NATO science series 3 |
| subject_GND | (DE-588)1071861417 |
| title | Multiscale computational methods in chemistry and physics [proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Physics, 5 - 7 April 2000, Eilat, Israel] |
| title_auth | Multiscale computational methods in chemistry and physics [proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Physics, 5 - 7 April 2000, Eilat, Israel] |
| title_exact_search | Multiscale computational methods in chemistry and physics [proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Physics, 5 - 7 April 2000, Eilat, Israel] |
| title_full | Multiscale computational methods in chemistry and physics [proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Physics, 5 - 7 April 2000, Eilat, Israel] ed. by Achi Brandt ... |
| title_fullStr | Multiscale computational methods in chemistry and physics [proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Physics, 5 - 7 April 2000, Eilat, Israel] ed. by Achi Brandt ... |
| title_full_unstemmed | Multiscale computational methods in chemistry and physics [proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Physics, 5 - 7 April 2000, Eilat, Israel] ed. by Achi Brandt ... |
| title_short | Multiscale computational methods in chemistry and physics |
| title_sort | multiscale computational methods in chemistry and physics proceedings of the nato advanced research workshop on multiscale computational methods in chemistry and physics 5 7 april 2000 eilat israel |
| title_sub | [proceedings of the NATO Advanced Research Workshop on Multiscale Computational Methods in Chemistry and Physics, 5 - 7 April 2000, Eilat, Israel] |
| topic_facet | Konferenzschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=018339210&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV015679610 |
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