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2013 Journal Article Free energy calculations with reduced potential cutoff radiiDavie, Stuart J., Reid, James C. and Searles, Debra J. (2013). Free energy calculations with reduced potential cutoff radii. Journal of Chemical Theory and Computation, 9 (4), 2083-2089. doi: 10.1021/ct300953u |
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2013 Journal Article Graphyne and graphdiyne: versatile catalysts for dehydrogenation of light metal complex hydridesYu, Huize, Du, Aijun, Song, Y. and Searles, Debra J. (2013). Graphyne and graphdiyne: versatile catalysts for dehydrogenation of light metal complex hydrides. Journal of Physical Chemistry C, 117 (42), 21643-21650. doi: 10.1021/jp406081v |
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2012 Journal Article A local dissipation theoremTalaei, Zahra, Reid, James C. and Searles, Debra J. (2012). A local dissipation theorem. Journal of Chemical Physics, 137 (21) 214110, 214110.1-214110.5. doi: 10.1063/1.4768897 |
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2012 Journal Article Lithium storage on graphdiyne predicted by DFT calculationsSun, Chenghua and Searles, Debra J. (2012). Lithium storage on graphdiyne predicted by DFT calculations. Journal of Physical Chemistry C, 116 (50), 26222-26226. doi: 10.1021/jp309638z |
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2012 Journal Article Response theory for confined systemsBernardi, Stefano, Brookes, Sarah J., Searles, Debra J. and Evans, Denis J. (2012). Response theory for confined systems. Journal of Chemical Physics, 137 (7) 074114, 074114.1-074114.7. doi: 10.1063/1.4746121 |
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2012 Journal Article The free energy of expansion and contraction: treatment of arbitrary systems using the Jarzynski equalityDavie, Stuart J., Reid, James C. and Searles, Debra J. (2012). The free energy of expansion and contraction: treatment of arbitrary systems using the Jarzynski equality. Journal of Chemical Physics, 136 (17) 174111, 174111. doi: 10.1063/1.4707348 |
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2012 Journal Article Contribution of the stochastic forces to the fluctuation theoremMichel, Guillaume and Searles, Debra J. (2012). Contribution of the stochastic forces to the fluctuation theorem. Physical Review E, 85 (4) 042102. doi: 10.1103/PhysRevE.85.042102 |
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2012 Journal Article Communication: beyond Boltzmann's H-theorem: demonstration of the relaxation theorem for a non-monotonic approach to equilibriumReid, James C., Evans, Denis J. and Searles, Debra J. (2012). Communication: beyond Boltzmann's H-theorem: demonstration of the relaxation theorem for a non-monotonic approach to equilibrium. Journal of Chemical Physics, 136 (2) 021101, 021101. doi: 10.1063/1.3675847 |
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2012 Journal Article Fine tuning the teaching methods used for second year university mathematicsLim, L. L., Thiel, D. V. and Searles, Debra J. (2012). Fine tuning the teaching methods used for second year university mathematics. International Journal of Mathematical Education in Science and Technology, 43 (1), 1-9. doi: 10.1080/0020739X.2011.582171 |
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2011 Journal Article Nonequilibrium umbrella sampling and the functional crooks fluctuation theoremWilliams, Stephen R., Evans, Denis J. and Searles, Debra J. (2011). Nonequilibrium umbrella sampling and the functional crooks fluctuation theorem. Journal of Statistical Physics, 145 (4), 831-840. doi: 10.1007/s10955-011-0281-0 |
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2011 Journal Article On the entropy of relaxing deterministic systemsEvans, Denis J., Williams, Stephen R. and Searles, Debra J. (2011). On the entropy of relaxing deterministic systems. Journal of Chemical Physics, 135 (19) 194107, 194107. doi: 10.1063/1.3660203 |
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2011 Journal Article Transient Violation of Le Chatelier's Principle for a Network of Water MoleculesDasmeh, P., Ajloo, D. and Searles, D. J. (2011). Transient Violation of Le Chatelier's Principle for a Network of Water Molecules. Journal of the Iranian Chemical Society, 8 (2), 424-432. doi: 10.1007/BF03249076 |
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2011 Journal Article A proof of Clausius' theorem for time reversible deterministic microscopic dynamicsEvans, Denis J., Williams, Stephen R. and Searles, Debra J. (2011). A proof of Clausius' theorem for time reversible deterministic microscopic dynamics. Journal of Chemical Physics, 134 (20) 204113, 204113. doi: 10.1063/1.3592531 |
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2011 Journal Article Planar mixed flow and chaos: Lyapunov exponents and the conjugate-pairing ruleBernardi, Stefano, Frascoli, Federico, Searles, Debra J. and Todd, B. D. (2011). Planar mixed flow and chaos: Lyapunov exponents and the conjugate-pairing rule. Journal of Chemical Physics, 134 (11) 114112, 114112. doi: 10.1063/1.3567095 |
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2010 Journal Article Different approaches for evaluating exponentially weighted nonequilibrium relationsReid, James C., Cunning, Benjamin V. and Searles, Debra J. (2010). Different approaches for evaluating exponentially weighted nonequilibrium relations. Journal of Chemical Physics, 133 (15) 154108, 154108. doi: 10.1063/1.3486196 |
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2010 Journal Article Musings on thermostatsEvans, Denis J., Searles, Debra J. and Williams, Stephen R. (2010). Musings on thermostats. Journal of Chemical Physics, 133 (10) 104106, 104106. doi: 10.1063/1.3486092 |
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2010 Journal Article The covariant dissipation function for transient nonequilibrium statesEvans, Denis J., Searles, Debra J. and Williams, Stephen R. (2010). The covariant dissipation function for transient nonequilibrium states. Journal of Chemical Physics, 133 (5) 054507, 054507. doi: 10.1063/1.3463439 |
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2010 Journal Article Thermostating highly confined fluidsBernardi, Stefano, Todd, B. D. and Searles, Debra J. (2010). Thermostating highly confined fluids. Journal of Chemical Physics, 132 (24) 244706, 244706. doi: 10.1063/1.3450302 |
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2010 Journal Article Lyapunov spectra and conjugate-pairing rule for confined atomic fluidsBernardi, Stefano, Todd, B. D., Hansen, J. S., Searles, Debra J. and Frascoli, Federico (2010). Lyapunov spectra and conjugate-pairing rule for confined atomic fluids. Journal of Chemical Physics, 132 (24) 244508, 244508. doi: 10.1063/1.3446809 |
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2010 Journal Article Applying bi-directional Jarzynski methods to quasi-equilibrium statesReid, James C., Williams, Stephen R. and Searles, Debra J. (2010). Applying bi-directional Jarzynski methods to quasi-equilibrium states. Australian Journal of Chemistry, 63 (3), 357-362. doi: 10.1071/CH09458 |
