J. Woods Halley - Publications

Affiliations: 
2015- School of Physics and Astronomy University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Condensed matter and chemical physics theory, simulation and experiment with an emphasis on interfaces and models of prebiotic evolution.
Website:
https://www.physics.umn.edu/people/woods.html

96 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Duan Y, Lekse J, Wang X, Li B, Alcántar-Vázquez B, Pfeiffer H, Halley JW. Electronic Structure, Phonon Dynamical Properties, and CO2 Capture Capability of Na2-x MxZr O3 (M=Li,K): Density-Functional Calculations and Experimental Validations Physical Review Applied. 3. DOI: 10.1103/PhysRevApplied.3.044013  1
2014 Wynveen A, Fedorov I, Halley JW. Nonequilibrium steady states in a model for prebiotic evolution. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 89: 022725. PMID 25353526 DOI: 10.1103/PhysRevE.89.022725  1
2013 Halley JW. Can biochemistry usefully guide the search for better polymer electrolytes? Membranes. 3: 242-8. PMID 24956948 DOI: 10.3390/membranes3030242  1
2013 Duan Y, Pfeiffer H, Li B, Romero-Ibarra IC, Sorescu DC, Luebke DR, Halley JW. CO2 capture properties of lithium silicates with different ratios of Li2O/SiO2: an ab initio thermodynamic and experimental approach. Physical Chemistry Chemical Physics : Pccp. 15: 13538-58. PMID 23824271 DOI: 10.1039/c3cp51659h  1
2012 Lin Y, Wynveen A, Halley JW, Curtiss LA, Redfern PC. Self consistent tight binding model for dissociable water. The Journal of Chemical Physics. 136: 174507. PMID 22583249 DOI: 10.1063/1.4705667  1
2012 Halley JW, Schofield A, Berntson B. Use of magnetite as anode for electrolysis of water Journal of Applied Physics. 111. DOI: 10.1063/1.4730777  1
2012 Duan Y, Luebke DR, Pennline HW, Li B, Janik MJ, Halley JW. Ab initio thermodynamic study of the CO 2 capture properties of potassium carbonate sesquihydrate, K 2CO 3·1.5H 2O Journal of Physical Chemistry C. 116: 14461-14470. DOI: 10.1021/jp303844t  1
2011 Tchernatinsky A, Halley JW. Relativistic tight-binding model: Application to Pt surfaces Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.205431  1
2011 Lutsyshyn Y, Halley JW. Diffusion Monte Carlo calculation of rate of elastic transmission of a helium vapor beam through a slab of superfluid helium Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/PhysRevB.83.014504  1
2010 Halley JW, Jia L, Bowman S. Mechanisms of ionic transport in membranes for batteries and fuel cells Materials Research Society Symposium Proceedings. 1269: 22-33.  1
2007 Wynveen A, Lidke KA, Lutsyshyn Y, Halley JW. Possible transmission experiments with low-velocity helium droplets Physical Review B - Condensed Matter and Materials Physics. 75. DOI: 10.1103/PhysRevB.75.054506  1
2007 Erdin S, Lin Y, Halley JW, Zapol P, Redfern P, Curtiss L. Self-consistent tight binding molecular dynamics study of TiO2 nanoclusters in water Journal of Electroanalytical Chemistry. 607: 147-157. DOI: 10.1016/j.jelechem.2007.03.016  1
2006 Barnard AS, Erdin S, Lin Y, Zapol P, Halley JW. Modeling the structure and electronic properties of Ti O2 nanoparticles Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/PhysRevB.73.205405  1
2006 Halley JW. Statistical mechanics: From first principles to macroscopic phenomena Statistical Mechanics: From First Principles to Macroscopic Phenomena. 1-283. DOI: 10.1017/CBO9780511815843  1
2005 Duan Y, Halley JW, Curtiss L, Redfern P. Mechanisms of lithium transport in amorphous polyethylene oxide. The Journal of Chemical Physics. 122: 54702. PMID 15740341 DOI: 10.1063/1.1839555  1
2005 Erdin S, Lin Y, Halley JW. Self-consistent tight-binding study of low-index titanium surfaces Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/PhysRevB.72.035405  1
2005 Lidke KA, Wynveen A, Baisch N, Koay C, Giese CF, Halley JW. Phonon mediated helium atom transmission through superfluid helium four Journal of Low Temperature Physics. 140: 429-449. DOI: 10.1007/s10909-005-7325-2  1
2005 Halley JW, Lutyshyn Y, Wynveen A. Helium-vapor dynamics: Can BEC be produced in a moving frame without confinement? Laser Physics. 15: 636-642.  1
2003 Wynveen A, Lidke KA, Williams MC, Giese CF, Halley JW. Dynamics of low-energy helium vapor pulses. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 026311. PMID 12636804  1
2003 Cong BT, Huy PNA, Schelling PK, Halley JW. Total energy calculation of perovskite, BaTiO3, by self-consistent tight binding method Bulletin of Materials Science. 26: 155-158.  1
2002 Halley JW, Lin Y, Zhuang M. Self consistent direct dynamics studies of interfaces. Faraday Discussions. 85-95;discussion 97-. PMID 12227588  1
2002 Halley JW, Duan Y. Role of atomic level simulation in development of batteries Journal of Power Sources. 110: 383-388. DOI: 10.1016/S0378-7753(02)00201-X  1
2002 Wynveen A, Halley JW. Signatures of Bose-Einstein condensation in very low energy atomic scattering from trapped gases Laser Physics. 12: 223-230.  1
2001 Halley JW, Duan Y, Nielsen B, Redfern PC, Curtiss LA. Simulation of polyethylene oxide: Improved structure using better models for hydrogen and flexible walls Journal of Chemical Physics. 115: 3957-3966. DOI: 10.1063/1.1386922  1
2001 Schelling PK, Halley JW. Modeling of semiconductor-electrolyte interfaces with tight-binding molecular dynamics Acs Symposium Series. 789: 142-155.  1
2001 Halley JW, Walbran S, Price DL. Chemical physics of the electrode-electrolyte interface Advances in Chemical Physics. 116: 337-387.  1
2001 Walbran S, Halley JW. Direct dynamics simulations of the copper-water interface: Successes and problems Acs Symposium Series. 789: 10-25.  1
2001 Zhuang M, Halley JW. Self-consistent tight-binding method for the prediction of magnetic spin structures in solids: Application to MnF2 and MnO2 Physical Review B - Condensed Matter and Materials Physics. 64: 244131-244139.  1
2001 Schelling PK, Halley JW. Analysis of photoluminescence experiments on p-type GaAs electrodes using a drift-diffusion model Physical Review B - Condensed Matter and Materials Physics. 64: 453261-4532611.  1
2000 Halley JW, Duan Y. Simulation of battery components and interfaces on the atomic scale: Examples of what we can learn Journal of Power Sources. 89: 139-142. DOI: 10.1016/S0378-7753(00)00421-3  1
2000 Halley JW, Schelling P, Duan Y. Simulation methods for chemically specific modeling of electrochemical interfaces Electrochimica Acta. 46: 239-245. DOI: 10.1016/S0013-4686(00)00578-8  1
2000 Schelling PK, Halley JW. Localization of polarons: A calculation in the adiabatic approximation Physical Review B - Condensed Matter and Materials Physics. 62: 3241-3245.  1
2000 Lidke KA, Williams MC, Wynveen A, Halley JW. Gas Dynamics of Pulsed Low Energy Helium Beams Journal of Low Temperature Physics. 121: 351-356.  1
2000 Wynveen A, Setty A, Howard A, Halley JW, Campbell CE. Identical particle scattering from a weakly coupled Bose-Einstein condensed gas Physical Review a - Atomic, Molecular, and Optical Physics. 62: 1-8.  1
2000 Wynveen A, Setty A, Howard A, Halley JW, Campbell CE. Identical particle scattering from a weakly coupled Bose-Einstein condensed gas Physical Review a - Atomic, Molecular, and Optical Physics. 62: 1-8.  1
1999 Halley JW, Duan Y, Curtiss LA, Baboul AG. Lithium perchlorate ion pairing in a model of amorphous polyethylene oxide Journal of Chemical Physics. 111: 3302-3308.  1
1998 Walbran S, Mazzolo A, Halley JW, Price DL. Model for the electrostatic response of the copper-water interface Journal of Chemical Physics. 109: 8076-8080. DOI: 10.1063/1.477455  1
1998 Johnson JA, Saboungi ML, Price DL, Ansell S, Russell TP, Halley JW, Nielsen B. Atomic structure of solid and liquid polyethylene oxide Journal of Chemical Physics. 109: 7005-7010. DOI: 10.1063/1.477352  1
1998 Zhou Y, Mazzolo A, Price DL, Halley JW. Molecular dynamics study of the Cu-water interface in the presence of chlorine International Journal of Thermophysics. 19: 663-674. DOI: 10.1023/A:1022610132348  1
1998 Schmidt J, Halley JW, Giese CF. Experimental and theoretical studies of levitated quantum fluids Fizika Nizkikh Temperatur (Kharkov). 24: 166-170.  1
1998 Schelling PK, Yu N, Halley JW. Self-consistent tight-binding atomic-relaxation model of titanium dioxide Physical Review B - Condensed Matter and Materials Physics. 58: 1279-1293.  1
1998 Halley JW, Mazzolo A, Zhou Y, Price D. First-principles simulations of the electrode|electrolyte interface Journal of Electroanalytical Chemistry. 450: 273-280.  1
1998 Halley JW, Nielsen B. Simulation studies of polymer electrolytes for battery applications Materials Research Society Symposium - Proceedings. 496: 101-107.  1
1997 Setty AK, Halley JW, Campbell CE. Variational Monte Carlo studies of the rate of transmission of an atomic helium beam through a slab of superfluid helium by a condensate mediated process Physical Review Letters. 79: 3930-3933.  1
1997 Wasserman E, Rustad JR, Felmy AR, Hay BP, Halley JW. Ewald methods for polarizable surfaces with application to hydroxylation and hydrogen bonding on the (012) and (001) surfaces of α-Fe2O3 Surface Science. 385: 217-239.  1
1996 Williams MC, Giese CF, Halley JW. Suspension of superfluid helium using cesium-coated surfaces. Physical Review. B, Condensed Matter. 53: 6627-6633. PMID 9982065  1
1996 Halley JW. Studies of the interdependence of electronic and atomic dynamics and structure at the electrode-electrolyte interface Electrochimica Acta. 41: 2229-2251. DOI: 10.1016/0013-4686(96)00052-7  1
1996 Boinske PT, Curtiss L, Halley JW, Lin B, Sutjianto A. Lithium ion transport in a model of amorphous polyethylene oxide Journal of Computer-Aided Materials Design. 3: 385-402.  1
1996 Lin B, Boinske PT, Halley JW. A molecular dynamics model of the amorphous regions of polyethylene oxide Journal of Chemical Physics. 105: 1668-1681.  1
1996 Smith BB, Halley JW, Nozik AJ. On the Marcus model of electron transfer at immiscible liquid interfaces and its application to the semiconductor/liquid interface Chemical Physics. 205: 245-267.  1
1995 Yu N, Halley JW. Electronic structure of point defects in rutile TiO2. Physical Review. B, Condensed Matter. 51: 4768-4776. PMID 9979343 DOI: 10.1103/PhysRevB.51.4768  1
1995 Rustad JR, Hay BP, Halley JW. Molecular dynamics simulation of iron(III) and its hydrolysis products in aqueous solution The Journal of Chemical Physics. 102: 427-431.  1
1995 Price DL, Halley JW. Molecular dynamics, density functional theory of the metal-electrolyte interface The Journal of Chemical Physics. 102: 6603-6612.  1
1994 Campbell CE, Halley JW. Theoretical analysis of an experiment to measure the condensate fraction in superfluid helium four Physica B: Physics of Condensed Matter. 194: 533-534. DOI: 10.1016/0921-4526(94)90596-7  1
1994 Halley JW. A novel approach to the observation of the condensate fraction in superfluid helium four Physica B: Physics of Condensed Matter. 197: 175-179. DOI: 10.1016/0921-4526(94)90211-9  1
1994 Smith BB, Halley JW. Simulation study of the ferrous ferric electron transfer at a metal-aqueous electrolyte interface The Journal of Chemical Physics. 101: 10915-10924.  1
1993 Halley JW, Campbell CE, Giese CF, Goetz K. New approach to the observation of the condensate fraction in superfluid helium-4. Physical Review Letters. 71: 2429-2432. PMID 10054678 DOI: 10.1103/PhysRevLett.71.2429  1
1993 Tit N, Kumar N, Halley JW, Shore H. Possibility of two types of localized states in a two-dimensional disordered lattice. Physical Review. B, Condensed Matter. 47: 15988-15991. PMID 10006008 DOI: 10.1103/PhysRevB.47.15988  1
1993 Dasgupta C, Halley JW. Phase diagram of the two-dimensional disordered Hubbard model in the Hartree-Fock approximation. Physical Review. B, Condensed Matter. 47: 1126-1129. PMID 10005602 DOI: 10.1103/PhysRevB.47.1126  1
1993 Halley JW, Korth MS, Wissink AJ. Calculation of the inelastic-light-scattering spectrum in He4 in the two-body approximation Physical Review B. 48: 7399-7408. DOI: 10.1103/PhysRevB.48.7399  1
1993 Tit N, Halley JW, Michalewicz MT, Shore H. Role of oxygen vacancies in anodic TiO2 thin films Applied Surface Science. 65: 246-251. DOI: 10.1016/0169-4332(93)90666-Y  1
1993 Halley JW. Structure of the condensate and some possible ways to observe it Journal of Low Temperature Physics. 93: 893-906. DOI: 10.1007/BF00692037  1
1993 Halley JW. Conference on the role of the condensate and vorticity in dense Bose systems - Preface Journal of Low Temperature Physics. 93: 859-860. DOI: 10.1007/BF00692034  1
1993 Best M, Halley JW, Johnson B, Valles JL. Water penetration in glassy polymers: experiment and theory Journal of Applied Polymer Science. 48: 319-334. DOI: 10.1002/app.1993.070480216  1
1993 Halley JW, Rustad JR, Rahman A. A polarizable, dissociating molecular dynamics model for liquid water The Journal of Chemical Physics. 98: 4110-4119.  1
1993 Smyrl W, Halley JW, Hubler G, Hurd A, MacDonald D, Snyder D, Williams J. Corrosion protection Critical Reviews in Surface Chemistry. 2: 271-295.  1
1992 Curtiss L, Halley JW, Wang XR. Jahn-Teller effect in liquids: General principles and a molecular-dynamics simulation of the cupric ion in water. Physical Review Letters. 69: 2435-2438. PMID 10046484 DOI: 10.1103/PhysRevLett.69.2435  1
1992 Halley JW, Wang XF, Davis S. Mean-field calculations of the properties of the dilute t-J model for high-temperature superconductivity. Physical Review. B, Condensed Matter. 46: 6560-6571. PMID 10002345 DOI: 10.1103/PhysRevB.46.6560  1
1992 Tit N, Halley JW. Comparison of the Koster-Slater and the equation-of-motion method for calculation of the electronic structure of defects in compound semiconductors. Physical Review. B, Condensed Matter. 45: 5887-5894. PMID 10000328 DOI: 10.1103/PhysRevB.45.5887  1
1992 Michalewicz MT, Shore HB, Tit N, Halley JW. Equation of motion method for the electronic structure of disordered transition metal oxides Computer Physics Communications. 71: 222-234. DOI: 10.1016/0010-4655(92)90011-M  1
1992 Tit N, Halley JW, Michalcwicz MT. Electronic properties of disordered anodic TiO2 (001) surfaces. Application of the equation-of-motion method Surface and Interface Analysis. 18: 87-92.  1
1991 Liu Y, McGreer KA, Nease B, Haviland DB, Martinez G, Halley JW, Goldman AM. Scaling of the insulator-to-superconductor transition in ultrathin amorphous Bi films. Physical Review Letters. 67: 2068-2071. PMID 10044327 DOI: 10.1103/PhysRevLett.67.2068  1
1991 Shore HB, Halley JW. Dynamical properties of the Anderson localization model in the short-time critical regime. Physical Review Letters. 66: 205-208. PMID 10043537 DOI: 10.1103/PhysRevLett.66.205  1
1991 Halley JW, Kozlowski M, Michalewicz M, Smyrl W, Tit N. Photoelectrochemical spectroscopy studies of titanium dioxide surfaces: theory and experiment Surface Science. 256: 397-408. DOI: 10.1016/0039-6028(91)90882-S  1
1991 Halley JW, Davis S, Samsel P, Joynt R. Calculations of the effects of point defects on hubbard models of high temperature superconductivity Bulletin of Materials Science. 14: 1069-1074. DOI: 10.1007/BF02747481  1
1991 Curtiss LA, Halley JW, Hautman J, Hung NC, Nagy Z, Rhee YJ, Yonco RM. Temperature dependence of the heterogeneous ferrous-ferric electron transfer reaction rate. Comparison of experiment and theory Journal of the Electrochemical Society. 138: 2032-2041.  1
1990 Halley JW, Johnson B, Vallés JL. Model for diffusion with interactions and trapping on realizations of the percolation model. Physical Review. B, Condensed Matter. 42: 4383-4387. PMID 9995967 DOI: 10.1103/PhysRevB.42.4383  1
1990 Halley JW, Vallés JL. Estimate of nuclear fusion rates arising from a molecular-dynamics model of PdDx. Physical Review. B, Condensed Matter. 41: 6072-6075. PMID 9994495 DOI: 10.1103/PhysRevB.41.6072  1
1990 Halley JW, Michalewicz MT, Tit N. Electronic structure of multiple vacancies in rutile TiO2 by the equation-of-motion method. Physical Review. B, Condensed Matter. 41: 10165-10170. PMID 9993402 DOI: 10.1103/PhysRevB.41.10165  1
1990 Halley JW, Atkatz D, Nakanishi H. Scaling at the rod-to-flexible chain crossover in the stiff limit Journal of Physics a: Mathematical and General. 23: 3297-3306. DOI: 10.1088/0305-4470/23/14/026  1
1990 Vallés JL, Halley JW. Molecular dynamics model of absorption of water in polymers The Journal of Chemical Physics. 92: 694-698.  1
1990 Halley JW, Davis S, Sen S. Mean field t-J model for high-Tc superconductivity containing two kinds of point defects Physica B: Condensed Matter. 165: 999-1000.  1
1989 Rhee Y, Halley JW, Hautman J, Rahman A. Ewald methods in molecular dynamics for systems of finite extent in one of three dimensions. Physical Review. B, Condensed Matter. 40: 36-42. PMID 9990879 DOI: 10.1103/PhysRevB.40.36  1
1989 Curtiss LA, Halley JW, Hautman J. Many-body effects in ion-water interactions: Fe3+ in water Chemical Physics. 133: 89-94. DOI: 10.1016/0301-0104(89)80101-6  1
1989 Halley JW. Theoretical issues in electronic structure of the passivation layer Corrosion Science. 29: 213-223. DOI: 10.1016/0010-938X(89)90031-0  1
1989 Hautman J, Halley JW, Rhee YJ. Molecular dynamics simulation of water between two ideal classical metal walls The Journal of Chemical Physics. 91: 467-472.  1
1988 Halley JW, Hautman J. Molecular-dynamics model for electron transfer at the electrode-electrolyte interface. Physical Review. B, Condensed Matter. 38: 11704-11710. PMID 9946055 DOI: 10.1103/PhysRevB.38.11704  1
1988 Price DL, Halley JW. Electronic structure of metal-electrolyte surfaces: Three-dimensional calculation. Physical Review. B, Condensed Matter. 38: 9357-9367. PMID 9945749 DOI: 10.1103/PhysRevB.38.9357  1
1988 Halley JW, Shore HB. Model for the role of oxygen defects in oxygen-defect superconductors. Physical Review. B, Condensed Matter. 37: 525-528. PMID 9943608 DOI: 10.1103/PhysRevB.37.525  1
1988 Halley JW. Finite size scaling in polymer systems The Journal of Chemical Physics. 88: 5181-5185.  1
1988 Saboungi ML, Rahman A, Halley JW, Blander M. Molecular dynamics studies of complexing in binary molten salts with polarizable anions: MAX4 The Journal of Chemical Physics. 88: 5818-5823.  1
1988 Halley JW, Kolan AJ. Model for bulk phases in mixtures of amphiphilic molecules and water The Journal of Chemical Physics. 88: 3313-3316.  1
1987 Halley JW, Shore HB. Equation-of-motion method for the study of defects in insulators: Application to a simple model of TiO2. Physical Review. B, Condensed Matter. 36: 6640-6645. PMID 9942379  0.56
1987 Halley JW, Price D. Quantum theory of the double layer: Model including solvent structure. Physical Review. B, Condensed Matter. 35: 9095-9102. PMID 9941305 DOI: 10.1103/PhysRevB.35.9095  1
1986 Goldenfeld N, Halley JW. Goldenfeld and Halley respond. Physical Review Letters. 56: 1315. PMID 10032634 DOI: 10.1103/PhysRevLett.56.1315  1
1985 Goldenfeld N, Halley JW. Role of long-wavelength degrees of freedom in the rod-to-coil transition in polymers. Physical Review Letters. 55: 730-733. PMID 10032432 DOI: 10.1103/PhysRevLett.55.730  1
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