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ORCIDComputer Physics Communications, Volume 204
Volume 204, July 2016
- Shingo Ito, Stephan Irle, Yuko Okamoto
:
Implementation of replica-exchange umbrella sampling in the DFTB+ semiempirical quantum chemistry package. 1-10 - Bernadett Ács, Gábor Szederkényi, Zsolt Tuza, Zoltán A. Tuza:
Computing all possible graph structures describing linearly conjugate realizations of kinetic systems. 11-20 - Joshua A. Anderson, M. Eric Irrgang, Sharon C. Glotzer:
Scalable Metropolis Monte Carlo for simulation of hard shapes. 21-30 - Zoltán Erdélyi, Mykola Pasichnyy, Volodymyr Bezpalchuk, János J. Tomán, Bence Gajdics, Andriy M. Gusak:
Stochastic kinetic mean field model. 31-37 - Jingbo Qin, Quanlin Jie, Zhuo Fan:
Implementing the density matrix embedding theory with the hierarchical mean-field approach. 38-42 - Magdalena Schreilechner, Walter Pötz:
Real-space finite difference scheme for the von Neumann equation with the Dirac Hamiltonian. 43-54 - Miguel Cárdenas-Montes, Juan José Rodríguez-Vázquez, Miguel A. Vega-Rodríguez:
Bin recycling strategy for improving the histogram precision on GPU. 55-63 - Carlos Teijeiro, Thomas Hammerschmidt, Ralf Drautz, Godehard Sutmann:
Efficient parallelization of analytic bond-order potentials for large-scale atomistic simulations. 64-73 - Tao Zhao, Feng-Nan Hwang, Xiao-Chuan Cai:
Parallel two-level domain decomposition based Jacobi-Davidson algorithms for pyramidal quantum dot simulation. 74-81 - Wenlong Wang:
Simulating thermal boundary conditions of spin-lattice models with weighted averages. 82-87 - Burkhard Militzer:
Computation of the high temperature Coulomb density matrix in periodic boundary conditions. 88-96 - David Salac:
A general, mass-preserving Navier-Stokes projection method. 97-106 - Fabian Bülow, Philipp Hamberger, Hermann Nirschl, Willy Dörfler:
A scalable parallel Stokesian Dynamics method for the simulation of colloidal suspensions. 107-120 - V. N. Pomerantsev, V. I. Kukulin, O. A. Rubtsova, S. K. Sakhiev:
Fast GPU-based calculations in few-body quantum scattering. 121-131 - Peng Zhang, Na Zhang, Chao Gao, Li Zhang, Yu-Xiang Gao, Yuefan Deng, Danny Bluestein:
Scalability Test of multiscale fluid-platelet model for three top supercomputers. 132-140 - Marija Vranic, Joana Luis Martins, Ricardo A. Fonseca, Luís O. Silva:
Classical radiation reaction in particle-in-cell simulations. 141-151 - Jaewook Kim, Michael F. J. Fox, A. R. Field, Yong Un Nam, Y.-c. Ghim:
Conditions for generating synthetic data to investigate characteristics of fluctuating quantities. 152-158
- Sylvain Meylan, Ulysse Vimont, Sébastien Incerti, Isabelle Clairand, Carmen Villagrasa:
Geant4-DNA simulations using complex DNA geometries generated by the DnaFabric tool. 159-169 - Tao Zeng, Nicholas Blinov, Grégoire Guillon, Hui Li, Kevin P. Bishop, Pierre-Nicholas Roy:
MoRiBS-PIMC: A program to simulate molecular rotors in bosonic solvents using path-integral Monte Carlo. 170-188 - A. V. Smirnov:
FIESTA4: Optimized Feynman integral calculations with GPU support. 189-199 - Markus Aichhorn, Leonid Pourovskii, Priyanka Seth, Veronica Vildosola, Manuel Zingl, Oleg E. Peil, Xiaoyu Deng, Jernej Mravlje, Gernot J. Kraberger, Cyril Martins, Michel Ferrero, Olivier Parcollet:
TRIQS/DFTTools: A TRIQS application for ab initio calculations of correlated materials. 200-208
- Luis E. Young-S., Dusan Vudragovic, Paulsamy Muruganandam, Sadhan K. Adhikari, Antun Balaz:
OpenMP Fortran and C programs for solving the time-dependent Gross-Pitaevskii equation in an anisotropic trap. 209-213 - Kebo Zhang, Hailing Xiong, Chao Li:
A new version of code Java for 3D simulation of the CCA model. 214-215 - Jakub Benda, Karel Houfek:
New version of hex-ecs, the B-spline implementation of exterior complex scaling method for solution of electron-hydrogen scattering. 216-217
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