@Misc{QB, url = {http://www.hpc.lsu.edu/systems/system.php?system=QueenBee}, } @Misc{Ranger, url = {http://www.tacc.utexas.edu/resources/hpc}, } === hybrid research articles === === 0. Ours @inproceedings{ECCOMAS10, author={S.-H. Ko and N. Kim and D. E. Nikitopoulos and D. Moldovan and S. Jha}, title={Parametric Study of a Multiscale Fluidic System using a Hybrid CFD-MD Approach}, year = {2010}, booktitle = {The 5th European Conference on Computational Fluid Dynamics (ECCOMAS CFD 2010)}, volume={}, number={}, pages={}, keywords={}, doi={}, ISSN={} } #@inproceedings{AJK2011, #author={S.-H. Ko and N. Kim and S. Jha and D. E. Nikitopoulos and D. Moldovan}, #title={Numerical Experiments of Solving Moderate Velocity Flow Field using a Hybrid CFD-MD Approach}, #year = {2011}, #booktitle = {ASME-JSME-KSME 2011 Joint Fluids Engineering Conference: Volume 1, Symposia - Parts A, B, C, and D}, #volume={}, #number={}, #pages={1129-1137}, #keywords={}, #doi={10.1115/AJK2011-01021}, #ISBN={978-0-7918-4440-3} #} @article{AJK2011, author = {Soon-Heum Ko and Nayong Kim and Shantenu Jha and Dimitris E. Nikitopoulos and Dorel Moldovan}, collaboration = {}, title = {Numerical Experiments of Solving Moderate-Velocity Flow Field Using a Hybrid CFD-MD Approach}, publisher = {ASME}, year = {2011}, journal = {ASME Conference Proceedings}, volume = {2011}, number = {44403}, pages = {1129-1137}, url = {http://link.aip.org/link/abstract/ASMECP/v2011/i44403/p1129/s1}, doi = {10.1115/AJK2011-01021} } @Article{JoCS2012, title={Accurate and Efficient Multi-scale Flow Simulation using a Hybrid CFD-MD Approach}, author={S.-H. Ko and N. Kim and D. E. Nikitopoulos and D. Moldovan and S. Jha}, journal={Journal of Computational Science}, year={Submitted}, volume={}, pages={} } === 1. CCLD (crude constrained Lagrangian Dynamics) @Article{Thompson, title={Molecular Dynamics Continuum Hybrid Computations: a Tool for Studying Complex Fuid Flows}, author={S. T. O'Connell and P. A. Thompson}, journal={Phys. Rev. E}, year={1995}, volume={52}, pages={R5792-R5795} } @Article{Nie, title={A Continuum and Molecular Dynamics Hybrid Method for Micro- and Nano-Fluid Flow}, author={X. B. Nie and S. Y. Chen and W. N. E and M. O. Robbins}, journal={J. Fluid Mech.}, year={2004}, volume={500}, pages={55-64} } @Article{Nie_cavity, title={Hybrid Continuum-Atomistic Simulation of Singular Corner Flow}, author={X. Nie and S. Chen and M. O. Robbins}, journal={Phys. Fluids}, year={2004}, volume={16}, number={10}, pages={3579-3591} } @Article{Cui, title={A Constrained Particle Dynamics for Continuum-Particle Hybrid Method in Micro- and Nano-fluidics}, author={J. Cui and G. W. He and D. Qi}, journal={Acta. Mech. Sin.}, year={2006}, volume={22}, pages={503-508} } @Article{Wang, title={A Dynamic Coupling Model for Hybrid Atomistic-Continuum Computations}, author={Y. C. Wang and G. He}, journal={J. Comput. Phys.}, year={2007}, volume={62}, number={}, pages={3574-3579}, keywords={}, doi={}, ISSN={} } @Article{Yen, title={Hybrid Molecular Dynamics-Continuum Simulation for Nano/Mesoscale Channel Flow}, author={T. H. Yen and C. Y. Soong and P. Y. Tzeng}, journal={Microfluid Nanofluid}, year={2007}, volume={3}, pages={665-675} } @Article{Liu, title={A Continuum-Atomistic Multi-Timescale Algorithm for Micro/Nano Flows}, author={J. Liu and S. Chen and X. Nie and M. O. Robbins}, journal={Commun. Comp. Phys.}, year={2008}, volume={4}, number={5}, pages={1279-1291} } === 2. Flux based @Article{Flekkoy, title={Hybrid Model for Combined Particle and Continuum Dynamics}, author={E. G. Flekk$\phi$y and G. Wagner and J. Feder}, journal={Europhys Lett.}, year={2000}, volume={52}, number={}, pages={271-276}, keywords={}, doi={}, ISSN={} } @Article{Wagner, title={Coupling Molecular Dynamics and Continuum Dynamics}, author={G. Wagner and E. G. Flekk$\phi$y and J. Feder and T. Jossang}, journal={Comput. Phys. Commun.}, year={2002}, volume={147}, number={}, pages={670-673}, keywords={}, doi={}, ISSN={} } @Article{Delgado1, title={Continuum-particle Hybrid Coupling for Mass, Momentum and Energy Transfers in Unsteady Flow}, author={R. Delgado-Buscalioni and P. V. Coveney}, journal={Phys. Rev. E}, year={2003}, volume={67}, number={046704}, pages={1-13}, keywords={}, doi={}, ISSN={}, } @Article{USHER, title={USHER: An algorithm for particle insertion in dense fluids}, author={R. Delgado-Buscalioni and P. V. Coveney}, journal={J. Chem. Phys.}, year={2003}, volume={119}, number={2}, pages={978-987}, keywords={}, doi={}, ISSN={}, } @Article{Time_Mechanism, title={Hybrid Molecular-Continuum Fluid Dynamics}, author={R. Delgado-Buscalioni and P. V. Coveney}, journal={Phil. Trans. R. Soc. Lond. A}, year={2004}, volume={362}, number={}, pages={1639-1654}, keywords={}, doi={}, ISSN={}, } @Article{Giupponi, title={A Hybrid Method Coupling Fluctuating Hydrodynamics and Molecular Dynamics for the Simulation of Macromolecules}, author={G. Giupponi and G. D. Fabritiis and P. V. Covney}, journal={J. Chem. Phys.}, year={2007}, volume={126}, number={}, pages={154903-1--154903-8}, keywords={}, doi={}, ISSN={}, } === 3. alternating Schwartz @Article{Hadjicon1, title={Heterogeneous Atomistic Continuum Representations for Dense Fluid Systems}, author={N. G. Hadjiconstantinou and A. T. Patera}, journal={International Journal of Modern Physics C}, year={1997}, volume={8}, number={}, pages={967-976}, keywords={}, doi={}, ISSN={} } @Article{Hadjicon2, title={Hybrid Atomistic-Continuum Formulations and the Moving Contact-Line Problem}, author={N. G. Hadjiconstantinou}, journal={J. Comput. Phys.}, year={1999}, volume={154}, pages={245-265}, keywords={}, doi={}, ISSN={} } @Article{Hadjicon3, title={Statistical Error in Particle Simulations of Hydrodynamic Phenomena}, author={N. G. Hadjiconstantinou and A. L. Garcia and M. Z. Bazant and G. He}, journal={J. Comput. Phys.}, year={2003}, volume={187}, number={}, pages={274-297}, keywords={}, doi={}, ISSN={} } @Article{Werder, title={Hybrid Atomistic-Continuum Method for the Simulation of Dense Fluid Flows}, author={T. Werder, J. H. Walther, P. Koumoutsakos}, journal={J. Comput. Phys.}, year={2005}, volume={205}, pages={373-390}, keywords={}, doi={}, ISSN={} } @Article{Kotsalis, title={Control Algorithm for Multiscale Flow Simulations of Water}, author={E. M. Kotsalis and J. H. Walter and E. Kaxiras and P. Koumoutsakos}, journal={Phys. Rev. E.}, year={2009}, volume={79}, pages={045701} } @Article{Garcia, title={Generation of the Chapman-Enskog Distribution}, author={A. Garcia and B. Alder}, journal={J. Comput. Phys.}, year={1998}, volume={140}, pages={66-70} } === 4. Other approaches == DSMC @Article{Garcia, title={Adaptive Mesh and Algorithm Refinement Using Direct Simulation Monte Carlo}, author={A. Garcia and J. Bell and W. Crutchfield and B. Alder}, journal={J. Comput. Phys.}, year={1999}, volume={154}, pages={134-155} } @Article{Sun, title={A Hybrid Continuum/Particle Approach for Modeling Subsonic, Rarefied Gas Flows}, author={Q. Sun and I. Boyd and G. Candler}, journal={J. Comput. Phys.}, year={2004}, volume={194}, pages={256-277} } == DPD @Article{Fedosov1, title={Velocity Limit in DPD Simulations of Wall-bounded Flows}, author={D. A. Fedosov and I. V. Pivkin and G. E. Karniadakis}, journal={J. Comput. Phys.}, year={2008}, volume={227}, pages={2540-2559} } @Article{Fedosov2, title={Triple-decker: Interfacing Atomistic-Mesoscopic-Continuum Flow Regimes}, author={D. A. Fedosov and G. E. Karniadakis}, journal={J. Comput. Phys.}, year={2009}, volume={228}, pages={1157-1171} } === 5. BC control and parallel @Article{Ren, title={Heterogeneous Multiscale Method for the Modeling of Complex Fluids and Micro-fluidics}, author={W. Ren and W. E}, journal={J. Comput. Phys.}, year={2005}, volume={204}, number={}, pages={1-26} } @Article{Steijl, title={Coupled Navier-Stokes--Molecular Dynamics Simulations Using a Multi-physics Flow Simulation Framework}, author={R. Steijl and G. N. Barakos}, journal={Int. J. Numer. Meth. Fluids}, year={2001}, volume={62}, number={10}, pages={1081-1106} } === 6. review articles @Article{Koumoutsakos, title={Multiscale Flow Simulations Using Particles}, author={P. Koumoutsakos}, journal={Annu. Rev. Fluid Mech.}, year={2005}, volume={37}, pages={457-487} } === 7. MD simulation on those problems @Article{Travis, title={Poiseuille flow of Lennard-Jones fluids in narrow slit pores}, author={Travis, K.P and Gubbins, K.E}, journal={J. Chem. Phys.}, year={2000}, volume={112}, pages={1984-1994} } === CFD article === @Article{Lee, title={Design of Flapping Airfoil for Optimal Aerodynamic Performance in Low-Reynolds Number Flows}, author={Jung-Sang Lee and Chongam Kim and Kyu Hong Kim}, journal={AIAA Journal}, year={2006}, volume={44}, pages={1960-1972} } @Article{PseudoCompressibility, title={An Upwind Differecing Scheme for the Time-Accurate Incompressible Navier-Stokes Equations}, author={S. E. Rosers and D. Kwak}, journal={AIAA J.}, year={1990}, volume={28}, number={}, pages={253-262}, keywords={}, doi={}, ISSN={} } @Article{LU-SGS, title={Lower-Upper Symmetric-Gauss-Seidel Method for the Euler and Navier-Stokes Equations}, author={S. Yoon and A. Jameson}, journal={AIAA J.}, year={1988}, volume={26}, number={}, pages={1025-1026}, keywords={}, doi={}, ISSN={} } @Article{Osher, title={An Implicit Form of the Osher Upwind Scheme}, author={M. M. Rai and S. R. Chakaravarthy}, journal={AIAA J.}, year={1986}, volume={24}, number={}, pages={735-743}, keywords={}, doi={}, ISSN={} } @Article{MUSCL, title={Towards the Ultimate Conservative Difference Scheme. V. A Second Order Sequel to Godunov's Methods}, author={B. Van Leer}, journal={J. Comput. Phys.}, year={1979}, volume={32}, number={}, pages={101-136}, keywords={}, doi={}, ISSN={} } @Article{Chimera, title={A Chimera Grid Scheme}, author={J. L. Steger and F. C. Dougherty and J. A. Benek}, journal={Advances in Grid Generation}, year={1983}, volume={FED Vol. 5}, number={}, pages={59-69}, keywords={}, doi={}, ISSN={}, publisher = {American Society of Mechanical Engineers}, address = {New York} } === MD article === @book{Allen, author = {M. Allen and D. Tildesley}, title = {Computer Simulation of Liquids}, year = {1987}, isbn = {}, publisher = {Oxford Science Publications}, address = {} } @book{Haile, author = {J. M. Haile}, title = {Molecular Dynamics Simulation. Elementary Methods}, year = {1992}, isbn = {}, publisher = {Wiley, Chichester}, address = {} } @book{Rapaport, author = {D C. Rapaport}, title = {The Art of Motecutar Dynamics Simulation}, year = {1995}, isbn = {}, publisher = {Cambridge University Press}, address = {} } @book{, author = {}, title = {The Art of Motecutar Dynamics Simulation}, year = {1995}, isbn = {}, publisher = {Cambridge University Press}, address = {} } @Link{LAMMPS_url, author = "LAMMPS", howpublished = "\url{http://lammps.sandia.gov}", } @Article{REMD, title={Replica-exchange Molecular Dynamics Method for Protein Folding}, author={Yuji Sugita and Yuko Okamoto}, journal={Chemical Physics Letters}, year={1999}, volume={314}, number={}, pages={141-151}, keywords={}, doi={}, ISSN={}, } === Framework related === === 0. Ours @inproceedings{CCGrid_Hybrid, author={S.-H. Ko and N. Kim and J. Kim and A. Thota and S. Jha}, title={Efficient Runtime Environment for Coupled Multi-Physics Simulations: Dynamic Resource Allocation and Load-Balancing}, year = {2010}, booktitle = { The 10th IEEE/ACM International Symposium on Cluster, Cloud and Grid Computing (CCGrid 2010)}, volume={}, number={}, pages={}, keywords={}, doi={}, ISSN={} } === 1. Load balancing @Article{Ko, title={Load Balancing for CFD Applications in Grid Computing Environment}, author={Soon-Heum Ko and Chongam Kim and Oh-Hyun Rho and Kum Won Cho}, journal={KSAS International Journal}, year={2004}, volume={5}, pages={77-87} } === 2. Components for the framework design --- Versioning @misc{CVS, author = {{Concurrent Versioning System}}, note = {{http://www.cvshome.org/eng/}}, url = {{http://www.cvshome.org/eng/}} } @misc{SVN, author = {{Apache Subversion}}, note = {{http://subversion.apache.org/}}, url = {{http://subversion.apache.org/}} } @misc{GIT, author = {{The fast version control system}}, note = {{http://git-scm.com/}}, url = {{http://git-scm.com/}} } --- Data management @misc{PetaShare, author = {{A Distributed Data Archival, Analysis and Visualization Cyberinfrastructure for Data-intensive Collaborative Research}}, note = {{http://www.petashare.org/}}, url = {{http://www.petashare.org/}} } --- Compilation @misc{SimFactory, author = {{The Simulation Factory}}, note = {{http://simfactory.org/}}, url = {{http://simfactory.org/}} } --- Scheduling and runtime @misc{Condor, author = {{Condor Project}}, note = {{http://www.cs.wisc.edu/condor/}} } @article{PilotFactory, author = {Chiu, Po-Hsiang and Potekhin, Maxim}, title = {Pilot Factory ??a Condor-based system for scalable Pilot Job generation in the Panda WMS framework}, journal = {Journal fo Physics: Conference Series}, volume = {219}, issue = {}, year = {2010}, pages = {062041:1-7} }