Další formáty:
BibTeX
LaTeX
RIS
@article{1139133, author = {Stenqvist, Bjoern and Thuresson, Axel and Kurut, Anil and Vácha, Robert and Lund, Mikael}, article_location = {Oxon}, article_number = {14-15}, doi = {http://dx.doi.org/10.1080/08927022.2013.828207}, keywords = {Metropolis Monte Carlo; coarse graining; C plus plus scientific programming}, language = {eng}, issn = {0892-7022}, journal = {Molecular Simulation}, title = {Faunus - a flexible framework for Monte Carlo simulation}, url = {http://www.tandfonline.com/doi/pdf/10.1080/08927022.2013.828207#.UyrHqYV-n7M}, volume = {39}, year = {2013} }
TY - JOUR ID - 1139133 AU - Stenqvist, Bjoern - Thuresson, Axel - Kurut, Anil - Vácha, Robert - Lund, Mikael PY - 2013 TI - Faunus - a flexible framework for Monte Carlo simulation JF - Molecular Simulation VL - 39 IS - 14-15 SP - 1205-1211 EP - 1205-1211 PB - Taylor & Francis SN - 08927022 KW - Metropolis Monte Carlo KW - coarse graining KW - C plus plus scientific programming UR - http://www.tandfonline.com/doi/pdf/10.1080/08927022.2013.828207#.UyrHqYV-n7M L2 - http://www.tandfonline.com/doi/pdf/10.1080/08927022.2013.828207#.UyrHqYV-n7M N2 - Faunus is a set of building blocks or statistical mechanical Lego' for constructing molecular simulation programs to study complex solutions, including proteins, polymers, salts, phospholipid membranes, surfaces and/or rigid macro-molecules. Current focus is on Metropolis Monte Carlo (MC) algorithms with support for anisotropic particles (multipolar, polarisable and sphero-cylindrical) and a flexible Hamiltonian. The design is inherently modular and it is trivial to extend functionality to cover new interaction potentials, geometries or moves. In this study, we present basic features, C++ design principles and review- selected applications. The latter includes splined pair potentials, two-dimensional parallel tempering of protein mixtures and MC swap moves for modelling ion-specific effects without ions. ER -
STENQVIST, Bjoern, Axel THURESSON, Anil KURUT, Robert VÁCHA a Mikael LUND. Faunus - a flexible framework for Monte Carlo simulation. \textit{Molecular Simulation}. Oxon: Taylor \&{} Francis, 2013, roč.~39, 14-15, s.~1205-1211. ISSN~0892-7022. Dostupné z: https://dx.doi.org/10.1080/08927022.2013.828207.
|