Workshop on Molecular Dynamics on Parallel Computers : John von Neumann Institute for Computing (NIC) Research Centre, Jülich, Germany, 8-10 February 1999 /
Molecular dynamics is a well-established technique for simulating complex many-particle systems in many areas of physics, chemistry, and astrophysics. The huge computational requirements for simulations of large systems, especially with long-range forces, demand the use of massively parallel compute...
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| Format: | Electronic Conference Proceeding eBook |
| Language: | English |
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Singapore ; River Edge, NJ :
World Scientific,
©2000.
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| Online Access: | CONNECT |
Table of Contents:
- Algorithms and programs. On the numerical simulation of fullerene nanotubes: C100. OOO.ooo and beyond! / A. Caglar and M. Griebel
- On dynamical transitions between conformational ensembles / Ch. Schutte and F. Cordes
- Molecular dynamics algorithms for massively parallel computers / N. Attig [and others]
- The molecular dynamics module of NWChem
- Design and application in protein simulations / T.P. Straatsma and V. Helms
- IMD
- A molecular dynamics program and applications / J. Roth
- Polymers. From microscopic to semi-macroscopic modeling of polymers / K. Kremer, O. Hahn, and M. Murat
- Advanced CBMC techniques / T.J.H. Vlugt and B. Smit
- Brownian dynamics of tethered polymers in flow / R. Rzehak [and others]
- Biochemistry. Algorithms for the simulation of biological membranes / U. Essmann
- EGO
- An efficient molecular dynamics program and its application to protein dynamics simulations / M. Eichinger, H. Heller, and H. Grubmuller
- Solid state physics. Ageing and slow dynamics in model glasses / U. Mussel and H. Rieger
- A parallelized ab initio molecular dynamics code for the investigation of atomistic growth processes / R. Berger [and others]
- Parallel object oriented MD simulation program for long time simulations of metallic glasses and undercooled liquids / B. Boddeker and H. Teichler
- Parallelization of a tight-binding molecular dynamics code by using the HPF environment / M. Celino, V. Rosato, and B. Di Martino
- Granular materials. Simulations of granular media / H.J. Herrmann and M. Muller
- Molecular dynamics simulation of a charged granular medium / T. Scheffler and D.E. Wolf
- Shared memory paralleization for molecular dynamics simulations of non-spherical granular materials / A. Schinner and K. Kassner
- Astrophysics. N-body calculations of cluster growth in photo-planetary discs / S. Kempf, S. Pfalzner, and Th. Henning
- Towards the million body problem on the computer
- No news since the three-body-problem? / R. Spurzem and A. Kugel
- Distributed implementation of SPH for simulations of acccretion disks / R. Speith [and others]
- Lattice gauge theory. Molecular dynamics for lattice quantum chromodynamics / Th. Lippert
- Multi-bosonic algorithms for dynamical fermion simulations / I. Montvay.
- Posters. How to mesh up ewald sums / M. Deserno, Ch. Holm, and H.J. Limbach
- Estimating relative free energies from a single ensemble: Hydration free energies / H. Schafer, W.F. van Gunsteren, and A.E. Mark
- Structure, energies, and reactions in model polycarbonates / P. Ballone, R.O. Jones, and B. Montanari
- F-shell blob model inspired by simulations of tethered polymers / D. Kienle, R. Rzehak, and W. Zimmermann
- Initial-value dependence of the growth of convection patterns in pure fluids and in binary mixtures / C. Futterer
- Computer simulation of chiral liquid crystal phases determination of the self-diffusion coefficient tensor of cholesteric liquid crystals / G. Schobel and R. Memmer
- Anisotropic motion of cholesterol in fluid phospholipid bilayers: A comparison of neutron experiments and MD simulations / H. Heller, Ch. Gliss, and Th. Bayerl
- Molecular dynamics simulation of melittin at the POPC membrane/water interface / J.-H. Lin and A. Baumgartner
- A combined Monte Carlo/molecular dynamics simulation of a hypothetical melittin pore / J.-H. Lin and A. Baumgartner
- Self-assembling amphiphilic systems: A Monte Carlo study / P.K. Maiti, D. Chowdhury, and K. Kremer
- Reversible peptide folding in DMSO by molecular dynamics simulation / R. Burgi [and others]
- Strongly charged polyelectrolyte brushes / F.S. Csajka and Ch. Seidel
- Ab initio molecular dynamics simulations of dye molecules on surfaces / M. Sugihara [and others]
- Diffusion mechanisms in under-cooled binary melts of CU33Zr67 / M. Kluge, C. Gaukel, and H.R. Schober
- Phase space diffusion of dense systems / B.M. Schulz, St. Trimper, and M. Schulz
- Path integral molecular dynamics simulations of high pressure hydrogen / S. Biermann, D. Hohl, and D. Marx
- Wave packet molecular dynamics simulations of hydrogen at very high densities / M. Knaup, P.-G. Reinhard, and Ch. Toepffer
- Ab initio density functional molecular dynamics with gaussian basis: Investigation of structural and dynamical properties of small metallic clusters / D. Reichardt, V. Bonacic-Koutecky, and P. Fantucci
- Angular momentum transport in clusters of stars / Ch. M. Boily and R. Spurzem
- Parallel gaseous models of globular clusters with stellar evolution / St. Deiters and R. Spurzem
- Applications of a parallel hybrid N-body SCF code / M. Hemsendorf
- Hierarchical treecodes: Periodic systems example: Simulation of inverse-Bremsstrahlung absorption in strongly-coupled, nonlinearly driven laser-plasmas / S. Pfalzner and P. Gibbon
- Hierarchical treecodes: Smoothed particle hydrodynamics example: Dynamics of accretion disks including self-gravity / S. Pfalzner and R. Speith.
