| 1 | -- | 8 | J. B. Neaton, K. H. Khoo, C. D. Spataru, Steven G. Louie. Electron transport and optical properties of carbon nanostructures from first principles |
| 9 | -- | 13 | Rosa Di Felice, Stefano Corni. Computational approach to study electron-transfer proteins: Azurin for bio-molecular devices |
| 14 | -- | 19 | Jean-Yves Raty, Giulia Galli. First principle study of nanodiamond optical and electronic properties |
| 20 | -- | 23 | Xiaobao Yang, Jun Ni. Ground states of potassium adsorbate on single-walled carbon nanotubes |
| 24 | -- | 27 | Caetano R. Miranda, Sandro Scandolo. Computational materials science meets geophysics: dislocations and slip planes of MgO |
| 28 | -- | 31 | 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 |
| 32 | -- | 35 | 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 |
| 36 | -- | 39 | Christoph Dellago, Mor M. Naor. Dipole moment of water molecules in narrow pores |
| 40 | -- | 43 | Alessandro Mattoni, Luciano Colombo, Fabrizio Cleri. Crack-tip stress shielding by a hard fiber in beta-SiC: an atomistic study |
| 44 | -- | 49 | Fabrizio Cleri. Evolution of dislocation cell structures in plastically deformed metals |
| 50 | -- | 53 | 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 |
| 54 | -- | 56 | Erik Johansson, Kim Bolton, Peter Ahlström. Simulation of water vapor clusters in equilibrium with liquid water |
| 57 | -- | 59 | Michael Schreiber, Sibylle Gemming. Density-functional investigation of alloyed metallic nanowires |
| 60 | -- | 63 | Ilya Valuev. Reactive potentials for molecular dynamics with cluster multi-range interpolation |
| 64 | -- | 68 | Ronald Blaak, Hartmut Löwen. Umbrella sampling in non-equilibrium computer simulations |
| 69 | -- | 74 | Nicolas Levy, Daniel Borgis, Massimo Marchi. A dielectric continuum model of solvation for complex solutes |
| 75 | -- | 81 | Kurt Kremer, Sathish K. Sukumaran, Ralf Everaers, Gary S. Grest. Entangled polymer systems |
| 82 | -- | 88 | Doros N. Theodorou. Hierarchical modeling of amorphous polymers |
| 89 | -- | 94 | Jean-Paul Ryckaert. From local jumps to entangled chain dynamics in polyethylene melts |
| 95 | -- | 98 | Irene Burghardt, Lorenz S. Cederbaum, James T. Hynes. Ultrafast excited-state charge transfer at a conical intersection: effects of an environment |
| 99 | -- | 103 | Claire Loison, Michel Mareschal, Friederike Schmid. Fluctuations and defects in lamellar stacks of amphiphilic bilayers |
| 104 | -- | 106 | Kang Kim, Yasuya Nakayama, Ryoichi Yamamoto. A smoothed profile method for simulating charged colloidal dispersions |
| 107 | -- | 110 | Andrey Milchev, Kurt Binder. Adsorption-induced polymer translocation through a nanopore: a Monte Carlo investigation |
| 111 | -- | 113 | Michael Bachmann, Wolfhard Janke. Conformational transitions of heteropolymers |
| 114 | -- | 116 | Hsiao-Ping Hsu, Walder Nadler, Peter Grassberger. Statistics of lattice animals |
| 117 | -- | 121 | Tanja Schilling, Daan Frenkel. Nucleation in suspensions of anisotropic colloids |
| 122 | -- | 125 | Enzo Orlandini, Davide Marenduzzo, Julia M. Yeomans. Shear dynamics in cholesterics |
| 126 | -- | 129 | Ana Damjanovic, Bertrand García-Moreno E., Eaton E. Lattman, Angel E. García. Molecular dynamics study of hydration of the protein interior |
| 130 | -- | 134 | Manuela Cavallari, Alessandro Desideri, Mattia Falconi, Mauro Ferrario. Molecular dynamics simulations of the Trp repressor-DNA complex and the AV77 mutant |
| 135 | -- | 138 | Carlo Cavazzoni, Renato Colle, Riccardo Farchioni, Giuseppe Grosso. Base and salt 3D forms of Emeraldine II polymers by Car-Parrinello molecular dynamics |
| 139 | -- | 143 | Hiroaki Nakamura, Yuichi Tamura. Phase diagram for self-assembly of amphiphilic molecule C::12::E::6:: by dissipative particle dynamics simulation |
| 144 | -- | 148 | Peter Young. Recent numerical results on spin glasses |
| 149 | -- | 152 | D. P. Landau, F. Tavazza, J. Adler. Monte Carlo simulations of a compressible Ising ferromagnet at constant volume |
| 153 | -- | 159 | 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 |
| 160 | -- | 165 | A. C. Maggs, J. Rottler. Auxiliary field simulation and Coulomb's law |
| 166 | -- | 171 | 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 |
| 172 | -- | 176 | Cedric Thieulot, Pep Español. Non-isothermal diffusion in a binary mixture with smoothed particle hydrodynamics |
| 177 | -- | 182 | Jörg Rottler, Mark O. Robbins. Macroscopic friction laws and shear yielding of glassy solids |
| 183 | -- | 187 | Eytan Domany. Analysis of DNA-chip and antigen-chip data: studies of cancer, stem cells and autoimmune diseases |
| 188 | -- | 191 | Alberto Rosso, Werner Krauth. Variant Monte Carlo algorithm for driven elastic strings in random media |
| 192 | -- | 196 | Ignacio Pagonabarraga, Fabrizio Capuani, Daan Frenkel. Mesoscopic lattice modeling of electrokinetic phenomena |
| 197 | -- | 202 | 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 |
| 203 | -- | 206 | Simone Melchionna, Sauro Succi. Lattice Boltzmann-Poisson method for electrorheological nanoflows in ion channels |
| 207 | -- | 209 | Chiara Marchetto, Francesco Califano, Maurizio Lontano. Turbulence healing via plasma-wave interaction: the results of a study via kinetic codes |
| 210 | -- | 213 | Giuliano De Stefano, Oleg V. Vasilyev, Daniel E. Goldstein. A-priori dynamic test for deterministic/stochastic modeling in large-eddy simulation of turbulent flow |
| 214 | -- | 217 | Paola Gallo, Andrea Attili, Mauro Rovere. Glass transition in confinement: a Lennard-Jones binary mixture study |
| 218 | -- | 221 | Ta-Yuan Chen, Li-Ching Hsieh, Hoong-Chien Lee. Shannon information and self-similarity in whole genomes |
| 222 | -- | 225 | Wolfhard Janke, Adriaan M. J. Schakel. Geometrical phase transitions |
| 226 | -- | 229 | 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 |
| 230 | -- | 233 | 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 |
| 234 | -- | 237 | Alexander K. Hartmann, Wolfgang Barthel, Martin Weigt. Phase transition and finite-size scaling in the vertex-cover problem |
| 238 | -- | 242 | Dan Skandera. Different strategies of the central approach to the numerical hydrodynamics |
| 243 | -- | 246 | S. Reynal, H. T. Diep. Hybrid multicanonical cluster algorithm for efficient simulations of long-range spin models |
| 247 | -- | 250 | Vladimir V. Stegailov. Homogeneous and heterogeneous mechanisms of superheated solid melting and decay |
| 251 | -- | 255 | J. Loverich, U. Shumlak. A discontinuous Galerkin method for the full two-fluid plasma model |
| 256 | -- | 261 | Jochen Blumberger, Yoshitaka Tateyama, Michiel Sprik. Ab initio molecular dynamics simulation of redox reactions in solution |
| 262 | -- | 266 | Gaurav Arya, Athanassios Z. Panagiotopoulos. Molecular modeling of shear-induced alignment of cylindrical micelles |
| 267 | -- | 273 | Sara Bonella, David Coker. Linearized, time-dependent, non-adiabatic quantum correlation functions |
| 274 | -- | 276 | Robert H. Swendsen, Marc Fasnacht, John M. Rosenberg. The adaptive integration method for calculating general free energy functions |
| 277 | -- | 283 | Ron Elber. Computer simulations of protein folding: Classical trajectories by optimization of action |
| 284 | -- | 288 | Thomas Bligaard, Hannes Jónsson. Optimization of hyperplanar transition states: Application to 2D test problems |
| 289 | -- | 294 | 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 |
| 295 | -- | 300 | Young C. Kim, Michael E. Fisher. Fluid coexistence close to criticality: scaling algorithms for precise simulation |
| 301 | -- | 304 | Ryoichi Yamamoto, Yasuya Nakayama, Kang Kim. A method to resolve hydrodynamic interactions in colloidal dispersions |
| 305 | -- | 308 | Daniele Passerone, Teodoro Laino. Exploring conical intersection spaces using pseudo-dynamics and band optimization: a novel strategy |
| 309 | -- | 312 | 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 |
| 313 | -- | 316 | 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 |
| 317 | -- | 321 | Hisashi Okumura, Yuko Okamoto. Molecular simulations in the multibaric-multithermal ensembles |
| 322 | -- | 325 | D. Quigley, M. I. J. Probert. Constant pressure Langevin dynamics: theory and application |
| 326 | -- | 330 | Roland G. Winkler, Marisol Ripoll, Kiaresch Mussawisade, Gerhard Gompper. Simulation of complex fluids by multi-particle-collision dynamics |
| 331 | -- | 334 | Marco Masia, Michael Probst, Rossend Rey. On the performance of molecular polarization methods close to a point charge |
| 335 | -- | 338 | 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 |
| 339 | -- | 342 | Branislav Brutovsky, Gerald R. Kneller. Linear prediction of force time series to accelerate molecular dynamics simulations |
| 343 | -- | 346 | Godehard Sutmann, Bernhard Steffen. A particle-particle particle-multigrid method for long-range interactions in molecular simulations |
| 347 | -- | 352 | Zoltán Fodor. Lattice gauge theory and elementary particle physics |
| 353 | -- | 361 | Ewald Müller. Simulating astrophysical phenomena: challenges and achievements |
| 362 | -- | 364 | Karl Jansen. Going chiral: twisted mass versus overlap fermions |
| 365 | -- | 369 | Roberto Capuzzo-Dolcetta. High performance computing for self-gravitating systems |
| 370 | -- | 373 | Fabien Alet, Biagio Lucini, Michele Vettorazzo. A cluster algorithm for lattice gauge theories |
| 374 | -- | 377 | Ian Hawke, Luca Baiotti, Luciano Rezzolla, Erik Schnetter. Gravitational waves from the 3D collapse of a neutron star to a Kerr black hole |
| 378 | -- | 381 | Claudio Gheller, Gianfranco Brunetti. Merging clusters and the formation of radio haloes |
| 382 | -- | 385 | 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 |
| 386 | -- | 393 | Michele Casula, Seiji Yunoki, Claudio Attaccalite, Sandro Sorella. Resonating valence bond wave function: from lattice models to realistic systems |
| 394 | -- | 399 | Shiwei Zhang, Henry Krakauer, Wissam A. Al-Saidi, Malliga Suewattana. Quantum simulations of realistic systems by auxiliary fields |
| 400 | -- | 403 | Alessandro Sergi, Raymond Kapral. Nonadiabatic chemical reactions |
| 404 | -- | 407 | Saverio Moroni, Stefano Baroni. Computational spectroscopy of doped He clusters |
| 408 | -- | 411 | Takahiro Mizusaki, Masatoshi Imada. Path-integral renormalization group method with quantum-number projection |
| 412 | -- | 415 | P. D. Drummond, J. F. Corney. Quantum phase-space simulations of fermions and bosons |
| 416 | -- | 420 | Marcos Rigol, Alejandro Muramatsu. Exact numerical approach to hard-core bosons on one-dimensional lattices |
| 421 | -- | 425 | Markus Holzmann, Carlo Pierleoni, David M. Ceperley. Coupled Electron-Ion Monte Carlo calculations of atomic hydrogen |
| 426 | -- | 429 | Florian R. Krajewski, Martin H. Müser. Many-body quantum dynamics by adiabatic path-integral molecular dynamics: Disordered Frenkel Kontorova models |
| 430 | -- | 432 | Massimo Rontani, Carlo Cavazzoni, Guido Goldoni. The crossover between liquid and solid electron phases in quantum dots: A large-scale configuration-interaction study |
| 433 | -- | 437 | Michael P. Allen. Computer simulation of multiscale phenomena in colloidal liquid crystals |
| 438 | -- | 441 | A. Brandt. Multiscale solvers and systematic upscaling in computational physics |
| 442 | -- | 448 | Raffaele Tripiccione. Strategies for dedicated computing for lattice gauge theories |
| 449 | -- | 453 | Andrew Canning, David Raczkowski. Scaling first-principles plane-wave codes to thousands of processors |
| 454 | -- | 456 | Carlo Cavazzoni, Tomaso Esposti Ongaro, Giovanni Erbacci, Augusto Neri, Giovanni Macedonio. High performance computing simulations of pyroclastic flows |
| 457 | -- | 461 | Wolfhard Janke, Des Johnston, Ralph Kenna. Critical exponents from general distributions of zeroes |
| 462 | -- | 466 | Simone Meloni, Mario Rosati, Alessandro Federico, Luca Ferraro, Alessandro Mattoni, Luciano Colombo. Computational Materials Science application programming interface (CMSapi): a tool for developing applications for atomistic simulations |