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Computer Physics Communications, Volume 177
Volume 177, Numbers 1-2, July 2007
1.1. Plenary Talk
- James R. Chelikowsky, Murilo L. Tiago, Yousef Saad, Yunkai Zhou:
Algorithms for the evolution of electronic properties in nanocrystals. 1-5
- Jürgen Hafner:
Materials simulations using VASP - a quantum perspective to materials science. 6-13 - Michael J. Gillan, David R. Bowler, Antonio S. Torralba, Tsuyoshi Miyazaki:
Order-N first-principles calculations with the conquest code. 14-18 - Joan Adler, J. Fox, Rafi Kalish, T. Mutat, Anastassia Sorkin, E. Warszarski:
The essential role of visualization for modeling nanotubes and nanodiamond. 19-20
- Agata Kranjc, Claudio Anselmi, Paolo Carloni, Frank E. Blaney:
Structural models of human big conductance calcium- and voltage-gated potassium channels. 21-26 - Francesco Luigi Gervasio:
Charge transfer mechanism in a PolydGpdCp fiber and in wet DNA. 27-29
- Yong-Ju Kang, Joongoo Kang, Yong-Hoon Kim, Kee Joo Chang:
First-principles approach to the electron transport and applications for devices based on carbon nanotubes and ultrathin oxides. 30-33 - Alexey Y. Kuksin, Genri E. Norman, Vladimir V. Stegailov, Alexey Yanilkin:
Surface melting of superheated crystals. Atomistic simulation study. 34-37 - Yoong-Kee Choe, Eiji Tsuchida, Tamio Ikeshoji:
Electrical property of a sulfuric acid-water mixture from the first-principles molecular dynamics simulation. 38-39
- Sul-Ah Ahn, Myoung Won Cho:
Exact and fast calculation for two-dimensional correlated electron systems: application to the Hubbard model. 40 - Timur T. Bazhirov, Genri E. Norman, Vladimir V. Stegailov:
Cavitation in liquid Pb and Li under negative pressures. 41 - Yong-Sung Kim:
Asymmetric-dimer-symmetric-dimer mixed phase on tensile-strained Si(001) surface. 42 - Y. Kubota, K. Nobusada:
An efficient numerical method for exciton states in quantum boxes. 43 - Geunsik Lee, Jai Sam Kim:
Adsorption energies of Al, Ga, In, Tl on Si(111)-7×7. 44 - Jon K. Nilsen:
Python in scientific computing: Applications to Bose-Einstein condensates. 45 - Yongjin Park, Rob J. W. E. Lahaye, Young Hee Lee:
Adsorption of Pt on defective carbon nanotube walls: a DFT approach. 46 - K. Shiratori, K. Nobusada:
Electronic structure calculations at constant chemical potential toward the application to electrochemistry. 47 - Alexey Y. Kuksin, Genri E. Norman, Vladimir V. Stegailov, Alexey Yanilkin:
Atomistic simulations of structure transitions and fracture in Fe and Al single crystals. 48 - Younsuk Yun, Sang Chul Kwon, Whung Whoe Kim:
Ab initio study of planar faults in bcc Fe and Mo. 49 - Oleg Efimov, Young-Gui Yoon, Seung-Hoon Jhi:
Carcinogenic activity of polycyclic aromatic hydrocarbons in first-principles. 50 - Keiji Hayashi, Noriyoshi Omote, Daisuke Tanaka:
Molecular dynamics study of atomistic mechanisms of wearless friction determining threshold sliding velocity. 51 - Geunjung Lee, Jinwoo Jeong, Young-Gui Yoon:
Comparison of trajectory based methods to find transition states. 52-53 - Katsuyuki Nobusada, Kazuhiro Yabana:
Electric currents in ring-shaped molecules induced by circularly polarized laser pulses. 54
- A. Bécoulet, Per Strand, H. Wilson, M. Romanelli, Lars-Goran Eriksson:
The way towards thermonuclear fusion simulators. 55-59
- Erik Lefebvre, Emmanuel d'Humières, Laurent Gremillet, Sven Fritzler, Victor Malka:
Numerical modeling and applications of laser-accelerated ion beams. 60-63 - Toshiaki Makabe, T. Shimada, Takashi Yagisawa:
Plasma etching and feature evolution of organic low-k material by using VicAddress. 64-67 - Min Sup Hur, Hyyong Suk:
New envelope-kinetic scheme for the simulation of Raman backward laser amplification. 68-69 - S. S. Kim, S. W. Yoon:
Transport simulations for the scrape-off layer and divertor plasmas in KSTAR tokamak. 70-71
- F. Iza, J. K. Lee:
Low-pressure plasma generation inside slender tubes. 72-75 - Xi-Wei Hu, Zhong-He Jiang, Shu Zhang, Minghai Liu:
The propagation of a microwave in an atmospheric pressure plasma layer: one- and two-dimensional numerical solutions. 76-77 - François Rogier, Jean-Charles Matéo-Vélez, Géraldine Quinio:
Numerical modeling of DC discharges in air flows. 78-79
- Siegbert Kuhn, D. D. Tskhakaya, D. Tskhakaya Jr.:
The magnetized plasma-wall transition (PWT) and its relation to fluid boundary conditions. 80-83 - Y. Miyagawa, M. Ikeyama, S. Miyagawa, M. Tanaka, H. Nakadate:
Plasma analysis for the plasma immersion ion implantation processing by a PIC-MCC simulation. 84-87 - M. M. Turner, P. Chabert:
Modelling of dual-frequency capacitive discharges. 88-92 - Jongsoo Yoo, Tongnyeol Rhee, Chang-Mo Ryu:
1D PIC simulation study of nonlinear beam plasma interaction. 93-94
- Viktor K. Decyk:
UPIC: A framework for massively parallel particle-in-cell codes. 95-97 - Jong-Shinn Wu, K.-H. Hsu, F.-L. Li, Chieh-Tsan Hung, S.-Y. Jou:
Development of a parallelized 3D electrostatic PIC-FEM code and its applications. 98-101 - Savino Longo:
Kinetic simulation of neutral and weakly ionized gases. 102-105 - Hae June Lee, Hyun Jin Yoon, Jae Koo Lee:
Simulation of photons from plasmas for the applications to display devices. 106-107 - Satoshi Hamaguchi, Masashi Yamashiro, Hideaki Yamada:
Atomic-level simulation of non-equilibrium surface chemical reactions under plasma-wall interaction. 108-109
- Kostya (Ken) Ostrikov, Igor Levchenko, S. Xu:
Computational plasma nanoscience: Where plasma physics meets surface science. 110-113 - S. W. Chau, K. L. Hsu, D. L. Lin, J. S. Chen, C. C. Tzeng:
Modeling and experimental validation of a 1.2 MW DC transferred well-type plasma torch. 114-117 - Hyun-Chul Kim, John P. Verboncoeur:
Reflection, absorption and transmission of TE electromagnetic waves propagation in a nonuniform plasma slab. 118-121 - Y. J. Hong, H. S. Ko, G. Y. Park, J. K. Lee:
Kinetic plasma simulations for three dielectric etchers. 122-123
- Hossein Abbasi, Mojtaba Ghadimi, Seyyed Mehdi Hosseini Jenab, Narjes Javaheri:
Vlasov model using kinetic phase point trajectories for the study of BGK modes. 124 - Daeho Kim, Hyonu Chang, Chang-Mo Ryu:
Particle simulation of a magnetized dual-frequency capacitively coupled plasma. 125 - Sunmi Choi, Sunghee Lee, Jaekoo Lee, Kyungnam Kim, Geunyoung Yeom:
Two-dimensional fluid simulation of large-area plasma source with parallel resonance antenna. 126 - T. H. Chung, Y. M. Shin:
Theoretical model of cylindrical Langmuir probe for low-pressure electronegative discharges. 127 - Y. J. Hong, Gon Jun Kim, S. H. Lee, M. Yoon:
Comparison between particle-in-cell Monte-Carlo and fluid simulations of argon microhollow discharges. 128 - Jonghyuk Kang, Ganyoung Park, Jaekoo Lee:
Particle-in-Cell/Monte Carlo simulation of CF4 discharge in capacitively coupled plasma reactor. 129-130 - Gon Jun Kim, Y. J. Hong, F. Iza, J. K. Lee:
Evolution of the electron energy distribution function in pulsed micro hollow cathode discharge. 131 - S. M. Lee, Y. S. Seo, J. K. Lee:
Paschen breakdown curve by one-dimensional PIC-MCC simulation. 132 - Sunghee Lee, Sunmi Choi, Jongwon Shon:
Two-dimensional fluid simulation of VHF-ICP source with parallel resonance antenna. 133 - Yong-Su Na, J. Y. Kim:
Predictive modelling of advanced tokamak scenarios. 134 - Y. S. Seo, S. M. Lee, J. K. Lee:
Improvement of luminous efficiency in a mercury-free flat fluorescent lamp (FFL) by using fluid simulation. 135 - Seunghwan Shin, D. Y. Jeong, J. E. Han, M. Yoon:
A tunable coherent IR radiation source based on a self-amplified spontaneous emission free-electron laser. 136 - J. Simek, Rudolf Hrach, Petr Jelínek:
Computational study of negative ions influence on plasma sheath formation. 137 - Chieh-Tsan Hung, M.-H. Hu, Jong-Shinn Wu, Feng-Nan Hwang:
A new paradigm for solving plasma fluid modeling equations. 138-139
- Kurt Binder, Jürgen Horbach, Andrey Milchev, Marcus Müller, Richard Vink:
Monte Carlo simulations of phase transitions of systems in nanoscopic confinement. 140-145
- Joachim Paul Jakob Wittmer, Philippe Beckrich, F. Crevel, Chien-Cheng Huang, Anna Cavallo, T. Kreer, Hendrik Meyer:
Are polymer melts "ideal". 146-149 - Erik Luijten, Angelo Cacciuto:
Translocation of polymers out of confined geometries. 150-153
- Philipp Schapotschnikow, René Pool, Thijs J. H. Vlugt:
Selective adsorption of alkyl thiols on gold in different geometries. 154-157 - Hans J. Herrmann, José S. Andrade Jr., Ascânio D. Araújo:
Particles in fluids. 158-161 - Akihiro Nakayama, Katsuya Hasebe, Yuki Sugiyama:
Instability of pedestrian flow in 2D optimal velocity model with attractive interaction. 162-163 - Shigeru Taniguchi, Masashi Nakamura, Masaharu Isobe, Nanrong Zhao, Masaru Sugiyama:
Heat conduction problem in a one-dimensional hard-point gas: Molecular dynamics and extended thermodynamics. 164-165 - Stefan Wessel:
Simulations of atomic gases on frustrated optical lattices. 166-167
- Friederike Schmid, Dominik Düchs, Olaf Lenz, Beate West:
A generic model for lipid monolayers, bilayers, and membranes. 168-171 - Frank L. H. Brown:
Simple models for biomembrane structure and dynamics. 172-175 - Ming Li, Zhong-Can Ou-Yang:
DNA as active polymer: long-range allosteric effect and chromatin loop structure. 176-179
- Joaquín Marro, Joaquín J. Torres, Jesús M. Cortés:
Networks with heterogeneously weighted connections and partial synchronization of nodes. 180-183 - Kyungsik Kim, Soo Yong Kim, Deock-Ho Ha:
Characteristics of networks in financial markets. 184-185
- Kyoung Eun Lee, Jae Woo Lee, Byoung Hee Hong:
Complex networks in a stock market. 186 - Gyuchang Lim, Soo Yoo Kim, Ji-Hyun Kang, Kyungsik Kim:
Dynamical models of high-frequency data analysis. 187 - Gimoon Nam, Nam-Kyung Lee:
Kinetics of a semiflexible chain under tension. 188 - Yasunori Sakaniwa, Hiroyuki Shima:
Numerical study on critical exponents of hyperbolic Ising lattice. 189 - Takayuki Tatekawa:
Phase transition in d-dimensional long-range interacting systems. 190
- Rubin H. Landau:
Computational Physics Education; why, what and how. 191-194 - Koo-Chul Lee, Julian Lee:
Programming physics softwares in Flash. 195-198 - P. H. Borcherds:
Python: a language for computational physics. 199-201
- Priya Vashishta, Rajiv K. Kalia, Aiichiro Nakano:
Multimillion atom simulations of dynamics of wing cracks and nanoscale damage in glass, and hypervelocity impact damage in ceramics. 202-205 - R. Y. Yang, R. P. Zou, K. J. Dong, X. Z. An, Aibing Yu:
Simulation of the packing of cohesive particles. 206-209 - Yongzhi Chen, Xin Chen, Yuefan Deng:
Simulating botulinum neurotoxin with constant pH molecular dynamics in Generalized Born implicit solvent. 210-213
- Jooneun An, Sunil Ahn, Sungho Kim, Jysoo Lee:
The design of the application and service platform for grid pilot services. 214 - Jaegyoon Hahm, Oh-Kyoung Kwon, Hun Joo Myung, Hyoungwoo Park, Jongsuk Ruth Lee:
KMI-R1: A Grid middleware package for K*Grid. 215 - Hyung Jinn Kim, Jongsuk Ruth Lee:
A study on a data dissemination mechanism for Grid environment. 216 - Jae-Hyuck Kwak, Sangwan Kim, Young Chul Hwang, Pillwoo Lee:
Development of web-based Grid service platform for K*Grid infrastructure. 217 - Daewon Lee, Jaewook Lee, Younggui Yoon:
A quadratic string adapted barrier exploring method for locating transition states. 218
- Jamie Shiers:
The Worldwide LHC Computing Grid (worldwide LCG). 219-223 - Harvey B. Newman:
Networking for High Energy and Nuclear Physics. 224-230 - Shawn McKee:
The ATLAS computing model: status, plans and future possibilities. 231-234 - Igor Sfiligoi:
CDF computing. 235-238 - Hiroshi Sakamoto:
Data grid deployment for high energy physics in Japan. 239-242 - Dongchul Son, Jun-Suhk Suh:
HEP computing in Korea. 243-246 - Kihyeon Cho:
Cyberinfrastructure in Korea. 247-248 - Norbert Attig, Nigel Cundy, Stefan Krieg, Thomas Lippert:
Simulation of full QCD using overlap fermions. 249
- Charles F. Gammie, Scott Noble, Po Kin Leung:
Numerical models of black hole accretion flows. 250-253 - Shinji Koide, Kazunari Shibata, Takahiro Kudoh:
General relativistic simulations of jet formation in Kerr black hole magnetosphere. 254-256 - James M. Stone, Thomas A. Gardiner:
Recent progress in astrophysical MHD. 257-259 - Hyung-Mok Lee, Eunhyeuk Kim, Ilsang Yoon:
Dynamical evolution of rotating stellar systems: Fokker-Planck and N-body. 260-261 - Insun Ahn, Hyung Mok Lee:
N-body simulations of the dynamical evolution of rotating star clusters in galactic tidal field. 262 - Daniel Pomarède, Edouard Audit, Romain Teyssier, Bruno Thooris:
Visualization of large astrophysical simulations datasets. 263
Volume 177, Number 3, August 2007
- Juan Torras, Yao He, Chao Cao, Krishna Muralidharan, Erik Deumens, H.-P. Cheng, Samuel B. Trickey:
PUPIL: A systematic approach to software integration in multi-scale simulations. 265-279 - Clas Persson, Claudia Ambrosch-Draxl:
A full-band FPLAPW+k.p-method for solving the Kohn-Sham equation. 280-287 - Pablo Cerdá-Durán, Vicent Quilis, José A. Font:
AMR simulations of the low T/W bar-mode instability of neutron stars. 288-297 - Amos G. Anderson, William A. Goddard III, Peter Schröder:
Quantum Monte Carlo on graphical processing units. 298-306 - Kuo-Chi Liu:
Numerical analysis of dual-phase-lag heat transfer in a layered cylinder with nonlinear interface boundary conditions. 307-314
- A. V. Kiselev, Thomas Wolf:
Classification of integrable super-systems using the SsTools environment. 315-328 - D. L. Patiris, Konstantinos Blekas, K. G. Ioannides:
TRIAC II. A MatLab code for track measurements from SSNT detectors. 329-338
Volume 177, Number 4, August 2007
- M. M. G. Alemany, Manish Jain, Murilo L. Tiago, Yunkai Zhou, Yousef Saad, James R. Chelikowsky:
Efficient first-principles calculations of the electronic structure of periodic systems. 339-347 - Mary Ann E. Leung, William P. Reinhardt:
Efficient parallel implementation of Bose Hubbard model: Exact numerical ground states and dynamics of gaseous Bose-Einstein condensates. 348-356 - Marko T. Cvitas, Stuart C. Althorpe:
Parallelizable split-operator propagator for treating Coriolis-coupled quantum dynamics. 357-361 - Bin Fang, Glenn J. Martyna, Yuefan Deng:
A fine grained parallel smooth particle mesh Ewald algorithm for biophysical simulation studies: Application to the 6-D torus QCDOC supercomputer. 362-377
- Wei Qi, Jian-Xiong Wang:
FDCSUSYDecay: An MSSM decay package. 378-390 - Edoardo Milotti:
New version of PLNoise: a package for exact numerical simulation of power-law noises. 391-398 - Ulrich Ellwanger, Cyril Hugonie:
NMSPEC: A Fortran code for the sparticle and Higgs masses in the NMSSM with GUT scale boundary conditions. 399-407
Volume 177, Number 5, September 2007
- S. Jolliet, Alberto Bottino, P. Angelino, Roman Hatzky, Trach-Minh Tran, B. F. McMillan, O. Sauter, K. Appert, Yasuhiro Idomura, Laurent Villard:
A global collisionless PIC code in magnetic coordinates. 409-425 - Kwang Jin Oh, Yuefan Deng:
An efficient parallel implementation of the smooth particle mesh Ewald method for molecular dynamics simulations. 426-431 - Patrick Huber, Joachim Kopp, Manfred Lindner, Mark Rolinec, Walter Winter:
New features in the simulation of neutrino oscillation experiments with GLoBES 3.0: (General Long Baseline Experiment Simulator). 432-438