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 |