Volume 169,
Numbers 1-3,
July 2005
Proceedings of the Europhysics Conference on Computational Physics 2004
1. Nanostructure and materials science
- J. B. Neaton, K. H. Khoo, C. D. Spataru, Steven G. Louie:
Electron transport and optical properties of carbon nanostructures from first principles.
1-8
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- Rosa Di Felice, Stefano Corni:
Computational approach to study electron-transfer proteins: Azurin for bio-molecular devices.
9-13
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- Jean-Yves Raty, Giulia Galli:
First principle study of nanodiamond optical and electronic properties.
14-19
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- Xiaobao Yang, Jun Ni:
Ground states of potassium adsorbate on single-walled carbon nanotubes.
20-23
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- Caetano R. Miranda, Sandro Scandolo:
Computational materials science meets geophysics: dislocations and slip planes of MgO.
24-27
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- A. Qteish, A. I. Al-Sharif, M. Fuchs, M. Scheffler, S. Boeck, J. Neugebauer:
Exact-exchange calculations of the electronic structure of AlN, GaN and InN.
28-31
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- C. Sbraccia, C. A. Pignedoli, A. Catellani, R. Di Felice, P. L. Silvestrelli, F. Toigo, F. Ancilotto, C. M. Bertoni:
Acetylene on Si(111) from computer simulations.
32-35
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- Christoph Dellago, Mor M. Naor:
Dipole moment of water molecules in narrow pores.
36-39
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- Alessandro Mattoni, Luciano Colombo, Fabrizio Cleri:
Crack-tip stress shielding by a hard fiber in beta-SiC: an atomistic study.
40-43
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- Fabrizio Cleri:
Evolution of dislocation cell structures in plastically deformed metals.
44-49
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- M. C. Righi, C. A. Pignedoli, R. Di Felice, C. M. Bertoni, A. Catellani:
Kinetic Monte Carlo simulations of C diffusion on sqrt(3)×sqrt(3) beta-SiC(111) based on ab initio calculations.
50-53
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- Erik Johansson, Kim Bolton, Peter Ahlström:
Simulation of water vapor clusters in equilibrium with liquid water.
54-56
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- Michael Schreiber, Sibylle Gemming:
Density-functional investigation of alloyed metallic nanowires.
57-59
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- Ilya Valuev:
Reactive potentials for molecular dynamics with cluster multi-range interpolation.
60-63
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2. Biostructures and soft matter (polymers,
membranes,
proteins,
etc)
- Ronald Blaak, Hartmut Löwen:
Umbrella sampling in non-equilibrium computer simulations.
64-68
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- Nicolas Levy, Daniel Borgis, Massimo Marchi:
A dielectric continuum model of solvation for complex solutes.
69-74
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- Kurt Kremer, Sathish K. Sukumaran, Ralf Everaers, Gary S. Grest:
Entangled polymer systems.
75-81
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- Doros N. Theodorou:
Hierarchical modeling of amorphous polymers.
82-88
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- Jean-Paul Ryckaert:
From local jumps to entangled chain dynamics in polyethylene melts.
89-94
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- Irene Burghardt, Lorenz S. Cederbaum, James T. Hynes:
Ultrafast excited-state charge transfer at a conical intersection: effects of an environment.
95-98
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- Claire Loison, Michel Mareschal, Friederike Schmid:
Fluctuations and defects in lamellar stacks of amphiphilic bilayers.
99-103
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- Kang Kim, Yasuya Nakayama, Ryoichi Yamamoto:
A smoothed profile method for simulating charged colloidal dispersions.
104-106
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- Andrey Milchev, Kurt Binder:
Adsorption-induced polymer translocation through a nanopore: a Monte Carlo investigation.
107-110
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- Michael Bachmann, Wolfhard Janke:
Conformational transitions of heteropolymers.
111-113
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- Hsiao-Ping Hsu, Walder Nadler, Peter Grassberger:
Statistics of lattice animals.
114-116
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- Tanja Schilling, Daan Frenkel:
Nucleation in suspensions of anisotropic colloids.
117-121
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- Enzo Orlandini, Davide Marenduzzo, Julia M. Yeomans:
Shear dynamics in cholesterics.
122-125
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- Ana Damjanovic, Bertrand García-Moreno E., Eaton E. Lattman, Angel E. García:
Molecular dynamics study of hydration of the protein interior.
126-129
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- Manuela Cavallari, Alessandro Desideri, Mattia Falconi, Mauro Ferrario:
Molecular dynamics simulations of the Trp repressor-DNA complex and the AV77 mutant.
130-134
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- Carlo Cavazzoni, Renato Colle, Riccardo Farchioni, Giuseppe Grosso:
Base and salt 3D forms of Emeraldine II polymers by Car-Parrinello molecular dynamics.
135-138
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- Hiroaki Nakamura, Yuichi Tamura:
Phase diagram for self-assembly of amphiphilic molecule C12E6 by dissipative particle dynamics simulation.
139-143
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3. Computational statistical physics,
turbulence plasmas and reactive flows
- Peter Young:
Recent numerical results on spin glasses.
144-148
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- D. P. Landau, F. Tavazza, J. Adler:
Monte Carlo simulations of a compressible Ising ferromagnet at constant volume.
149-152
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- S. Atzeni, Angelo A. Schiavi, F. Califano, F. Cattani, F. Cornolti, D. Del Sarto, T. V. Liseykina, A. Macchi, F. Pegoraro:
Fluid and kinetic simulation of inertial confinement fusion plasmas.
153-159
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- A. C. Maggs, J. Rottler:
Auxiliary field simulation and Coulomb's law.
160-165
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- Francesco Sciortino, Sergey V. Buldyrev, Cristiano De Michele, Giuseppe Foffi, Neda Ghofraniha, Emilia La Nave, Angel Moreno, Stefano Mossa, Ivan Saika-Voivod, Piero Tartaglia, Emanuela Zaccarelli:
Routes to colloidal gel formation.
166-171
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- Cedric Thieulot, Pep Español:
Non-isothermal diffusion in a binary mixture with smoothed particle hydrodynamics.
172-176
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- Jörg Rottler, Mark O. Robbins:
Macroscopic friction laws and shear yielding of glassy solids.
177-182
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- Eytan Domany:
Analysis of DNA-chip and antigen-chip data: studies of cancer, stem cells and autoimmune diseases.
183-187
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- Alberto Rosso, Werner Krauth:
Variant Monte Carlo algorithm for driven elastic strings in random media.
188-191
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- Ignacio Pagonabarraga, Fabrizio Capuani, Daan Frenkel:
Mesoscopic lattice modeling of electrokinetic phenomena.
192-196
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- K. Franzrahe, P. Henseler, A. Ricci, W. Strepp, S. Sengupta, M. Dreher, Chr. Kircher, M. Lohrer, W. Quester, K. Binder, P. Nielaba:
Two-dimensional model colloids and nano wires: phase transitions, effects of external potentials and quantum effects.
197-202
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- Simone Melchionna, Sauro Succi:
Lattice Boltzmann-Poisson method for electrorheological nanoflows in ion channels.
203-206
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- Chiara Marchetto, Francesco Califano, Maurizio Lontano:
Turbulence healing via plasma-wave interaction: the results of a study via kinetic codes.
207-209
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- Giuliano De Stefano, Oleg V. Vasilyev, Daniel E. Goldstein:
A-priori dynamic test for deterministic/stochastic modeling in large-eddy simulation of turbulent flow.
210-213
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- Paola Gallo, Andrea Attili, Mauro Rovere:
Glass transition in confinement: a Lennard-Jones binary mixture study.
214-217
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- Ta-Yuan Chen, Li-Ching Hsieh, Hoong-Chien Lee:
Shannon information and self-similarity in whole genomes.
218-221
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- Wolfhard Janke, Adriaan M. J. Schakel:
Geometrical phase transitions.
222-225
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- Kurt Binder, Marcus Müller, Andrey Milchev, D. P. Landau:
Monte Carlo simulations of Ising models and polymer blends in double wedge geometry: Evidence for novel types of critical phenomena.
226-229
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- Rudolf Hilfer, Bibudhananda Biswal, Hans-Georg Mattutis, Wolfhard Janke:
Multicanonical simulations of the tails of the order-parameter distribution of the two-dimensional Ising model.
230-233
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- Alexander K. Hartmann, Wolfgang Barthel, Martin Weigt:
Phase transition and finite-size scaling in the vertex-cover problem.
234-237
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- Dan Skandera:
Different strategies of the central approach to the numerical hydrodynamics.
238-242
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- S. Reynal, H. T. Diep:
Hybrid multicanonical cluster algorithm for efficient simulations of long-range spin models.
243-246
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- Vladimir V. Stegailov:
Homogeneous and heterogeneous mechanisms of superheated solid melting and decay.
247-250
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- J. Loverich, U. Shumlak:
A discontinuous Galerkin method for the full two-fluid plasma model.
251-255
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4. New methods in computer simulation
- Jochen Blumberger, Yoshitaka Tateyama, Michiel Sprik:
Ab initio molecular dynamics simulation of redox reactions in solution.
256-261
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- Gaurav Arya, Athanassios Z. Panagiotopoulos:
Molecular modeling of shear-induced alignment of cylindrical micelles.
262-266
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- Sara Bonella, David Coker:
Linearized, time-dependent, non-adiabatic quantum correlation functions.
267-273
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- Robert H. Swendsen, Marc Fasnacht, John M. Rosenberg:
The adaptive integration method for calculating general free energy functions.
274-276
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- Ron Elber:
Computer simulations of protein folding: Classical trajectories by optimization of action.
277-283
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- Thomas Bligaard, Hannes Jónsson:
Optimization of hyperplanar transition states: Application to 2D test problems.
284-288
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- Matthew J. McGrath, J. Ilja Siepmann, I-Feng W. Kuo, Christopher J. Mundy, Joost VandeVondele, Michiel Sprik, Jürg Hutter, Fawzi Mohamed, Matthias Krack, Michele Parrinello:
Toward a Monte Carlo program for simulating vapor-liquid phase equilibria from first principles.
289-294
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- Young C. Kim, Michael E. Fisher:
Fluid coexistence close to criticality: scaling algorithms for precise simulation.
295-300
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- Ryoichi Yamamoto, Yasuya Nakayama, Kang Kim:
A method to resolve hydrodynamic interactions in colloidal dispersions.
301-304
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- Daniele Passerone, Teodoro Laino:
Exploring conical intersection spaces using pseudo-dynamics and band optimization: a novel strategy.
305-308
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- Yiming Li, Shao-Ming Yu:
A numerical iterative method for solving Schrödinger and Poisson equations in nanoscale single, double and surrounding gate metal-oxide-semiconductor structures.
309-312
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- Mitsuyoshi Tomiya, Naotaka Yoshinaga, Shoichi Sakamoto, Aki Hirai:
A large number of higher-energy eigenvalues of a huge dimensional matrix for a quantum chaotic study of a quartic potential.
313-316
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- Hisashi Okumura, Yuko Okamoto:
Molecular simulations in the multibaric-multithermal ensembles.
317-321
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- D. Quigley, M. I. J. Probert:
Constant pressure Langevin dynamics: theory and application.
322-325
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- Roland G. Winkler, Marisol Ripoll, Kiaresch Mussawisade, Gerhard Gompper:
Simulation of complex fluids by multi-particle-collision dynamics.
326-330
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- Marco Masia, Michael Probst, Rossend Rey:
On the performance of molecular polarization methods close to a point charge.
331-334
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- David Curcó, Jordi Casanovas, Marc Roca, Carlos Alemán:
A method for generating reliable atomistic models of amorphous polymers based on a random search of energy minima.
335-338
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- Branislav Brutovsky, Gerald R. Kneller:
Linear prediction of force time series to accelerate molecular dynamics simulations.
339-342
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- Godehard Sutmann, Bernhard Steffen:
A particle-particle particle-multigrid method for long-range interactions in molecular simulations.
343-346
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5. Computational aspects of lattice gauge theory,
elementary particle physics and astrophysics
- Zoltán Fodor:
Lattice gauge theory and elementary particle physics.
347-352
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- Ewald Müller:
Simulating astrophysical phenomena: challenges and achievements.
353-361
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- Karl Jansen:
Going chiral: twisted mass versus overlap fermions.
362-364
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- Roberto Capuzzo-Dolcetta:
High performance computing for self-gravitating systems.
365-369
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- Fabien Alet, Biagio Lucini, Michele Vettorazzo:
A cluster algorithm for lattice gauge theories.
370-373
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- Ian Hawke, Luca Baiotti, Luciano Rezzolla, Erik Schnetter:
Gravitational waves from the 3D collapse of a neutron star to a Kerr black hole.
374-377
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- Claudio Gheller, Gianfranco Brunetti:
Merging clusters and the formation of radio haloes.
378-381
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- Norbert Attig, Gunnar S. Bali, Thomas Düssel, Thomas Lippert, Hartmut Neff, Z. Prkaçin, Klaus Schilling:
Demonstration of string breaking in quantum chromodynamics by large-scale eigenvalue computations.
382-385
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6. Quantum simulation (many-body,
dynamics,
lattice models,
etc)
- Michele Casula, Seiji Yunoki, Claudio Attaccalite, Sandro Sorella:
Resonating valence bond wave function: from lattice models to realistic systems.
386-393
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- Shiwei Zhang, Henry Krakauer, Wissam A. Al-Saidi, Malliga Suewattana:
Quantum simulations of realistic systems by auxiliary fields.
394-399
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- Alessandro Sergi, Raymond Kapral:
Nonadiabatic chemical reactions.
400-403
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- Saverio Moroni, Stefano Baroni:
Computational spectroscopy of doped He clusters.
404-407
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- Takahiro Mizusaki, Masatoshi Imada:
Path-integral renormalization group method with quantum-number projection.
408-411
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- P. D. Drummond, J. F. Corney:
Quantum phase-space simulations of fermions and bosons.
412-415
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- Marcos Rigol, Alejandro Muramatsu:
Exact numerical approach to hard-core bosons on one-dimensional lattices.
416-420
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- Markus Holzmann, Carlo Pierleoni, David M. Ceperley:
Coupled Electron-Ion Monte Carlo calculations of atomic hydrogen.
421-425
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- Florian R. Krajewski, Martin H. Müser:
Many-body quantum dynamics by adiabatic path-integral molecular dynamics: Disordered Frenkel Kontorova models.
426-429
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- Massimo Rontani, Carlo Cavazzoni, Guido Goldoni:
The crossover between liquid and solid electron phases in quantum dots: A large-scale configuration-interaction study.
430-432
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7. Fronties in large scale computing
Copyright © Sat May 16 23:54:28 2009
by Michael Ley (ley@uni-trier.de)
