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@techreport{Goddard1998, |
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Author = {Kimura, Y. and Cagin, T. and Goddard III, W.A.}, |
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Date-Added = {2012-11-29 16:32:17 +0000}, |
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Date-Modified = {2012-11-29 16:32:30 +0000}, |
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Institution = {California Institute of Technology}, |
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Lastchecked = {January 19, 2011}, |
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Number = {003}, |
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Title = {The Quantum Sutton-Chen Many Body Potential for Properties of fcc Metals}, |
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Url = {http://csdrm.caltech.edu/publications/cit-asci-tr/cit-asci-tr003.pdf}, |
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Year = {1998}, |
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Bdsk-Url-1 = {http://csdrm.caltech.edu/publications/cit-asci-tr/cit-asci-tr003.pdf}} |
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@article{Hase2010, |
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Author = {Yue Zhang and George L. Barnes and Tianying Yan and William L. Hase}, |
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Date-Added = {2012-11-29 16:29:39 +0000}, |
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Date-Modified = {2012-11-29 16:31:14 +0000}, |
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Journal = {Phys. Chem. Chem. Phys.}, |
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Keywords = {fcc/hcp, non-equilibrium, thiols}, |
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Pages = {4435-4445}, |
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Title = {Model non-equilibrium molecular dynamics simulations of heat transfer from a hot gold surface to an alkylthiolate self-assembled monolayer}, |
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Volume = {12}, |
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Year = {2010}} |
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@misc{open_md, |
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Author = {Shenyu Kuang and Joseph Michalka and Kelsey M. Stocker and James Marr and Teng Lin and Charles F. Vardeman II and Christopher J. Fennell and Xiuquan Sun and Chunlei Li and Kyle Daily and Yang Zheng and Matthew A. Meineke and J. Daniel Gezelter}, |
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Date-Added = {2012-11-29 16:27:02 +0000}, |
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Date-Modified = {2012-11-29 16:28:46 +0000}, |
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Howpublished = {http://openmd.net}, |
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Keywords = {OpenMD}, |
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Lastchecked = {January 18, 2011}, |
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Title = {OpenMD, an open source engine for molecular dynamics}, |
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Bdsk-Url-1 = {http://openmd.net}} |
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@article{Kuang2010, |
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Author = {Shenyu Kuang and J. Daniel Gezelter}, |
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Date-Added = {2012-11-29 16:24:10 +0000}, |
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Date-Modified = {2012-11-29 16:25:51 +0000}, |
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Journal = {J. Chem. Phys.}, |
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Keywords = {NIVS, RNEMD, NIVS-RNEMD}, |
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Month = {October}, |
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Pages = {164101-1 - 164101-9}, |
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Title = {A gentler approach to RNEMD: Nonisotropic velocity scaling for computing thermal conductivity and shear viscosity}, |
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Volume = {133}, |
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Year = {2010}} |
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@article{Kuang2011, |
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Author = {Shenyu Kuang and J. Daniel Gezelter}, |
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Date-Added = {2012-11-29 16:22:53 +0000}, |
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Date-Modified = {2012-11-29 16:24:06 +0000}, |
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Journal = {J. Phys. Chem. C}, |
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Keywords = {thiols, RNEMD}, |
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Month = {October}, |
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Pages = {22475-22483}, |
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Title = {Simulating Interfacial Thermal Conductance at Metal-Solvent Interfaces: The Role of Chemical Capping Agents}, |
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Volume = {115}, |
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Year = {2011}} |
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@article{Kuang2012, |
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Author = {Shenyu Kuang and J. Daniel Gezelter}, |
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Date-Added = {2012-11-29 16:19:22 +0000}, |
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Date-Modified = {2012-11-29 16:22:47 +0000}, |
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Journal = {Mol. Phys.}, |
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Keywords = {VSS, RNEMD, VSS-RNEMD}, |
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Month = {May}, |
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Number = {9-10}, |
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Pages = {691-701}, |
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Title = {Velocity shearing and scaling RNEMD: a minimally perturbing method for simulating temperature and momentum gradients}, |
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Volume = {110}, |
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Year = {2012}} |
