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| Author | Identifier | Number of Items | Total Downloads |
|---|---|---|---|
| Bernhardt, D |  https://orcid.org/0000-0003-1346-8318 |
78 | 8028 |
| Title | Author(s) | IrusType | Repository | Item URL | Total Downloads |
|---|---|---|---|---|---|
| A local dissipation theorem | Talaei, Zahra; Reid, James C.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:288929 | 66 |
| A local fluctuation theorem | Ayton, G; Evans, DJ; Searles, DJ | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282875 | 76 |
| A proof of Clausius' theorem for time reversible deterministic microscopic dynamics | Evans, Denis J.; Williams, Stephen R.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282876 | 225 |
| Ab initio Variational Calculations of the Vibrational Properties of Li-3+, Li2Na+, Lina2+, and Klina+ | Searles, D. J.; Vonnagyfelsobuki, E. I. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282869 | 83 |
| Abinitio Calculation of the Deuterium Quadrupole Coupling in Liquid Water | Eggenberger, R.; Gerber, S.; Huber, H.; Searles, D.; Welker, M. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282874 | 92 |
| Abinitio Potential-Energy Surface of Lih2+ and its Analytical Representation | Searles, DJ; Vonnagyfelsobuki, EI | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282822 | 70 |
| Accurate prediction of binding energies for two-dimensional catalytic materials using machine learning | Melisande Fischer, Julia; Hunter, Michelle; Hankel, Marlies; Searles, Debra J.; Parker, Amanda J.; Barnard, Amanda S. | Article | University of Queensland [UQ eSpace] | 10 | |
| Application of the Gallavotti-Cohen fluctuation relation to thermostated steady states near equilibrium | Evans, Denis J.; Searles, Debra J.; Rondoni, Lamberto | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282879 | 82 |
| Biphenylene and phagraphene as lithium ion battery anode materials | Ferguson, David; Searles, Debra J.; Hankel, Marlies | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:674223 | 137 |
| Boundary condition independence of molecular dynamics simulations of planar elongational flow | Frascoli, Federico; Todd, B. D.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282808 | 52 |
| Causality, response theory, and the second law of thermodynamics | Evans, D. J.; Searles, D. J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282867 | 155 |
| Chaotic properties of isokinetic-isobaric atomic systems under planar shear and elongational flows | Frascoli, Federico; Searles, Debra J.; Todd, B. D. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282849 | 29 |
| Chaotic properties of planar elongational flow and planar shear flow: lyapunov exponents, conjugate-pairing rule, and phase space contraction | Frascoli, Federico; Searles, Debra J.; Todd, B. D. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282891 | 58 |
| Comment on "Modified nonequilibrium molecular dynamics for fluid flows with energy conservation" [J. Chem. Phys. 106, 5615 (1997)] | Evans, DJ; Searles, DJ; Hoover, WG; Hoover, CG; Holian, BL; Posch, HA; Morriss, GP | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282858 | 43 |
| Communication: beyond Boltzmann's H-theorem: demonstration of the relaxation theorem for a non-monotonic approach to equilibrium | Reid, James C.; Evans, Denis J.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282860 | 202 |
| Computational study on the adsorption of sodium and calcium on edge-functionalized graphene nanoribbons | Farokh Niaei, Amir H.; Roman, Tanglaw; Hussain, Tanveer; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | 78 | |
| Conformation of Hydrophobically Modified Thermoresponsive Poly(OEGMA-co-TFEA) across the LCST Revealed by NMR and Molecular Dynamics Studies | Zhang, Cheng; Peng, Hui; Puttick, Simon; Reid, James; Bernardi, Stefano; Searles, Debra J.; Whittaker, Andrew K. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:363325 | 33 |
| Conformation transitions of thermoresponsive dendronized polymers across the lower critical solution temperature | Zhang, Cheng; Peng, Hui; Li, Wen; Liu, Lianxiao; Puttick, Simon; Reid, James; Bernardi, Stefano; Searles, Debra J.; Zhang, Afang; Whittaker, Andrew K. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:380950 | 48 |
| Contribution of the stochastic forces to the fluctuation theorem | Michel, Guillaume; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282856 | 46 |
| Different approaches for evaluating exponentially weighted nonequilibrium relations | Reid, James C.; Cunning, Benjamin V.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282831 | 29 |
| Effect of solvation and confinement on the trans-gauche isomerization reaction in n-butane | Travis, Karl P.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282890 | 112 |
| Enhanced CO2 photocatalytic reduction on alkali-decorated graphitic carbon nitride | Sun, Zhuxing; Fischer, Julia Melisande Theresa Agatha; Li, Qian; Hu, Jing; Tang, Qijun; Wang, Haiqiang; Wu, Zhongbiao; Hankel, Marlies; Searles, Debra J.; Wang, Lianzhou | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:647248 | 376 |
| Ensemble dependence of the transient fluctuation theorem | Searles, DJ; Evans, DJ | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282853 | 55 |
| Equilibrium Microstates Which Generate 2Nd Law Violating Steady-States | Evans, DJ; Searles, DJ | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282872 | 494 |
| Evaluating the catalytic efficiency of paired, single-atom catalysts for the oxygen reduction reaction | Hunter, Michelle A.; Fischer, Julia M. T. A.; Yuan, Qinghong; Hankel, Marlies; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | 194 | |
| Experimental demonstration of violations of the second law of thermodynamics for small systems and short time scales | Wang, G. M.; Sevick, E. M.; Mittag, E.; Searles, D. J.; Evans, D. J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282878 | 639 |
| Fluctuation theorem for Hamiltonian systems: Le Chatelier's principle | Evans, DJ; Searles, DJ; Mittag, E | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282843 | 77 |
| Fluctuation theorem for stochastic systems | Searles, D. J.; Evans, D. J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:143620 | 75 |
| Fluctuations and irreversibility: An experimental demonstration of a second-law-like theorem using a colloidal particle held in an optical trap | Carberry, DM; Reid, JC; Wang, GM; Sevick, EM; Searles, DJ; Evans, DJ | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282816 | 198 |
| Generalised fluctuation formula | Searles, DJ; Ayton, G; Evans, DJ | Conference Papers/Posters | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282842 | 50 |
| How approximate is the experimental evaluation of quadrupole coupling constants in liquids? A novel computational study | Hardy, Edme H.; Muller, Markus G.; Vogt, Patrick S.; Bratschi, Christoph; Kirchner, Barbara; Huber, Hanspeter; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282844 | 65 |
| Hydrogenated defective graphene as an anode material for sodium and calcium ion batteries: a density functional theory study | Farokh Niaei, Amir H.; Hussain, Tanveer; Hankel, Marlies; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | 86 | |
| Independence of the transient fluctuation theorem to thermostatting details | Williams, Stephen. R.; Searles, Debra. J.; Evans, Denis. J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282838 | 59 |
| Ion-responsive 19F MRI contrast agents for the detection of cancer cells | Zhang, Cheng; Moonshi, Shehzahdi Shebbrin; Peng, Hui; Puttick, Simon; Reid, James; Bernardi, Stefano; Bernhardt, Debra J.; Whittaker, Andrew K. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:387756 | 41 |
| Isobaric-isothermal fluctuation theorem | Mittag, Emil; Searles, Debra J.; Evans, Denis J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282811 | 96 |
| Kinetic energy conserving integrators for Gaussian thermostatted SLLOD | Zhang, F.; Searles, D. J.; Evans, D. J.; Hansen, J. S. D.; Isbister, D. J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:85640 | 150 |
| Lithium and sodium storage on graphitic carbon nitride | Hankel, Marlies; Ye, Delai; Wang, Lianzhou; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:370835 | 166 |
| Lithium storage on carbon nitride, graphenylene and inorganic graphenylene | Hankel, Marlies; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:396320 | 98 |
| Local fluctuation theorem for large systems | Michel, Guillaume; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:306523 | 27 |
| Local response in nanopores | Bernardi, Stefano; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:368884 | 70 |
| Low‐fouling fluoropolymers for bioconjugation and in vivo tracking | Fu, Changkui; Demir, Baris; Alcantara, Sheilajen; Kumar, Vinod; Han, Felicity; Kelly, Hannah G.; Tan, Xiao; Yu, Ye; Xu, Weizhi; Zhao, Jiacheng; Zhang, Cheng; Peng, Hui; Boyer, Cyrille; Woodruff, Trent M.; Kent, Stephen J.; Searles, Debra J.; Whittaker, An | Article | University of Queensland [UQ eSpace] | 3 | |
| Low-fouling fluoropolymers for bioconjugation and in vivo tracking | Fu, Changkui; Demir, Baris; Alcantara, Sheilajen; Kumar, Vinod; Han, Felicity; Kelly, Hannah; Tan, Xiao; Yu, Ye; Xu, Weizhi; Zhao, Jiacheng; Zhang, Cheng; Peng, Hui; Boyer, Cyrille; Woodruff, Trent; Kent, Stephen; Searles, Debra; Whittaker, Andrew | Article | University of Queensland [UQ eSpace] | 7 | |
| Lyapunov spectra and conjugate-pairing rule for confined atomic fluids | Bernardi, Stefano; Todd, B. D.; Hansen, J. S.; Searles, Debra J.; Frascoli, Federico | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282812 | 59 |
| Modeling molecular transport in slit pores | Jepps, O. G.; Bhatia, S. K.; Searles, D. J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:73186 | 95 |
| Musings on thermostats | Evans, Denis J.; Searles, Debra J.; Williams, Stephen R. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282859 | 47 |
| New observations regarding deterministic, time-reversible thermostats and Gauss's principle of least constraint | Bright, Joanne N.; Evans, Denis J.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282865 | 39 |
| Non-Hamiltonian molecular dynamics implementation of the Gibbs ensemble method. II. Molecular liquid-vapor results for carbon dioxide | Bratschi, Christoph; Huber, Hanspeter; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282888 | 70 |
| Nonequilibrium free-energy relations for thermal changes | Williams, Stephen R.; Searles, Debra J.; Evans, Denis J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282845 | 68 |
| Numerical study of the steady state fluctuation relations far from equilibrium | Williams, Stephen R.; Searles, Debra J.; Evans, Denis J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282877 | 48 |
| On the entropy of relaxing deterministic systems | Evans, Denis J.; Williams, Stephen R.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282861 | 116 |
| On the fluctuation theorem for the dissipation function and its connection with response theory | Evans, Denis J.; Searles, Debra J.; Williams, Stephen R. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282821 | 103 |
| On the probability of violations of Fourier's law for heat flow in small systems observed for short times | Evans, Denis J.; Searles, Debra J.; Williams, Stephen R. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282824 | 66 |
| On the relationship between dissipation and the rate of spontaneous entropy production from linear irreversible thermodynamics | Williams, Stephen R.; Searles, Debra J.; Evans, Denis J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:321573 | 506 |
| On typicality in nonequilibrium steady states | Evans, Denis J.; Williams, Stephen R.; Searles, Debra J.; Rondoni, Lamberto | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:398843 | 66 |
| On violations of Le Chatelier's principle for a temperature change in small systems observed for short times | Dasmeh, Pouria; Searles, Debra J.; Ajloo, Davood; Evans, Denis J.; Williams, Stephen R. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282825 | 78 |
| Phase Equilibria and Gas Storage Capacity of Clathrate Hydrates of Methane + Quaternary Ammonium Salts | Su, Yuan; Bernardi, Stefano; Searles, Debra J.; Wang, Liguang | Conference Papers/Posters | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:411707 | 1 |
| Planar mixed flow and chaos: Lyapunov exponents and the conjugate-pairing rule | Bernardi, Stefano; Frascoli, Federico; Searles, Debra J.; Todd, B. D. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282805 | 56 |
| Potassium‐ion storage in cellulose derived hard carbon: the role of functional groups | Nanjundan, Ashok Kumar; Gaddam, Rohit Ranganathan; Niaei, Amir H. Farokh; Annamalai, Pratheep K.; Dubal, Deepak P.; Martin, Darren James; Yamauchi, Yusuke; Searles, Debra J.; Zhao, Xiu Song | Article | University of Queensland [UQ eSpace] | 41 | |
| Response theory for confined systems | Bernardi, Stefano; Brookes, Sarah J.; Searles, Debra J.; Evans, Denis J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:285480 | 69 |
| Reversibility in nonequilibrium trajectories of an optically trapped particle | Reid, JC; Carberry, DM; Wang, GM; Sevick, EM; Evans, DJ; Searles, DJ | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282840 | 77 |
| Shaping the Future of solid-state electrolytes through computational modeling | Baktash, Ardeshir; Reid, James C.; Yuan, Qinghong; Roman, Tanglaw; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | 7 | |
| Sodium-intercalated bulk graphdiyne as an anode material for rechargeable batteries | Farokh Niaei, Amir H.; Hussain, Tanveer; Hankel, Marlies; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:436501 | 50 |
| Steady states, invariant measures, and response theory | Evans, DJ; Searles, DJ | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282810 | 91 |
| Structural electrolytes based on epoxy resins and ionic liquids: a molecular-level investigation | Demir, Baris; Chan, Kit-ying; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | 5 | |
| Switched photocurrent on tin sulfide-based nanoplate photoelectrodes | Chen, Hongjun; Lyu, Miaoqiang; Zhang, Meng; Feron, Krishna; Searles, Debra J.; Dargusch, Matthew; Yao, Xiangdong; Wang, Lianzhou | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:453382 | 107 |
| System size effects on calculation of the viscosity of extended molecules | Bernardi, Stefano; Brookes, Sarah J.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:342396 | 115 |
| Temporal asymmetry of fluctuations in nonequilibrium steady states | Paneni, Carlo; Searles, Debra J.; Rondoni, Lamberto | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282839 | 61 |
| Temporal asymmetry of fluctuations in nonequilibrium steady states: links with correlation functions and nonlinear response | Paneni, Carlo; Searles, Debra J.; Rondoni, Lamberto | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282882 | 51 |
| The covariant dissipation function for transient nonequilibrium states | Evans, Denis J.; Searles, Debra J.; Williams, Stephen R. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282835 | 59 |
| The dissipation function: its relationship to entropy production, theorems for nonequilibrium systems and observations on its extrema | Reid, James C.; Brookes, Sarah J.; Evans, Denis J.; Searles, Debra J. | Book Section | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:328643 | 2 |
| The fluctuation theorem and Green-Kubo relations | Searles, DJ; Evans, DJ | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282809 | 92 |
| The free energy of expansion and contraction: treatment of arbitrary systems using the Jarzynski equality | Davie, Stuart J.; Reid, James C.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282855 | 101 |
| The glass transition and the Jarzynski equality | Williams, Stephen R.; Searles, Debra J.; Evans, Denis J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282817 | 58 |
| Thermodynamical and Structural-Properties of Neon in the Liquid and Supercritical States Obtained From Ab-Initio Calculations and Molecular-Dynamics Simulations | Eggenberger, R.; Gerber, S.; Huber, H.; Searles, D.; Welker, M. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282870 | 142 |
| Thermostating highly confined fluids | Bernardi, Stefano; Todd, B. D.; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:282857 | 91 |
| Understanding the Origin of Li2MnO3 Activation in Li-Rich Cathode Materials for Lithium-Ion Batteries | Ye, Delai; Zeng, Guang; Nogita, Kazuhiro; Ozawa, Kiyoshi; Hankel, Marlies; Searles, Debra J; Wang, Lianzhou | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:377028 | 290 |
| Wall mediated transport in confined spaces: Exact theory for low density | Jepps, O. G.; Bhatia, S. K.; Searles, D. J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:66135 | 83 |
| Water diffusion in zeolite membranes: molecular dynamics studies on effects of water loading and thermostat | Han, Kuk Nam; Bernardi, Stefano; Wang, Lianzhou; Searles, Debra J. | Article | University of Queensland [UQ eSpace] | https://espace.library.uq.edu.au/view/UQ:368856 | 266 |
