Grenfell N. Patey
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Engineering Computer Science
Grenfell N. Patey's Degrees
- PhD Computer Science Stanford University
- Masters Electrical Engineering University of California, Berkeley
- Bachelors Computer Engineering University of California, Berkeley
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(Suggest an Edit or Addition)Grenfell N. Patey's Published Works
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Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- The solution of the hypernetted‐chain approximation for fluids of nonspherical particles. A general method with application to dipolar hard spheres (1985) (300)
- A Monte Carlo method for obtaining the interionic potential of mean force in ionic solution (1975) (214)
- On the molecular theory of aqueous electrolyte solutions. I. The solution of the RHNC approximation for models at finite concentration (1988) (205)
- Fluids of polarizable hard spheres with dipoles and tetrahedral quadrupoles Integral equation results with application to liquid water (1982) (157)
- Electrical double layers. II. Monte Carlo and HNC studies of image effects (1982) (150)
- The interaction of two spherical colloidal particles in electrolyte solution. An application of the hypernetted‐chain approximation (1980) (135)
- An integral equation theory for the dense dipolar hard-sphere fluid (1977) (133)
- Charged hard spheres in dipolar hard sphere solvents. A model for electrolyte solutions (1980) (133)
- Structure and interaction in aqueous urea-trimethylamine-N-oxide solutions. (2007) (127)
- The solution of the reference hypernetted-chain approximation for water-like models (1988) (119)
- The free energy of spheres with dipoles: Monte Carlo with multistage sampling (1973) (113)
- Hypernetted‐chain closure with bridge diagrams. Asymmetric hard sphere mixtures (1990) (108)
- A Monte Carlo study of dipolar hard spheres The pair distribution function and the dielectric constant (1977) (104)
- The thermodynamic properties of electrolyte solutions: Some formal results (1987) (98)
- Cavitation of a Lennard‐Jones fluid between hard walls, and the possible relevance to the attraction measured between hydrophobic surfaces (1993) (97)
- On the theory and computer simulation of dipolar fluids (1982) (89)
- The solution of the hypernetted chain and Percus–Yevick approximations for fluids of hard nonspherical particles. Results for hard ellipsoids of revolution (1987) (88)
- Molecular solvent model for an electrical double layer: Reference hypernetted‐chain (RHNC) results for solvent structure at a charged surface (1988) (88)
- A Molecular Mechanism of Ice Nucleation on Model AgI Surfaces. (2015) (87)
- Integral equation approximations for dipolar fluids (1979) (81)
- Theoretical results for aqueous electrolytes. Ion–ion potentials of mean force and the solute‐dependent dielectric constant (1983) (78)
- Fluids of spheres containing quadrupoles and dipoles: A study using perturbation theory and Monte Carlo computations (1976) (78)
- How Crystals Nucleate and Grow in Aqueous NaCl Solution. (2013) (77)
- Dipolar hard spheres: A Monte Carlo study (1974) (77)
- Heterogeneous Ice Nucleation Induced by Electric Fields (2011) (76)
- An investigation of the influence of solute size and insertion conditions on solvation thermodynamics (1997) (74)
- Molecular solutes in nematic liquid crystals: Orientational order and electric field gradients (1983) (69)
- On the molecular theory of aqueous electrolyte solutions. II. Structural and thermodynamic properties of different models at infinite dilution (1988) (67)
- Simulations of Ice Nucleation by Kaolinite (001) with Rigid and Flexible Surfaces. (2016) (66)
- Theory of the electrical double layer: Ion size effects in a molecular solvent (1989) (66)
- Density functional theory applied to the isotropic–nematic transition in model liquid crystals (1988) (64)
- Dielectric Constants of Fluid Models: Statistical Mechanical Theory and its Quantitative Implementation (2007) (64)
- Simulation of water adsorption on kaolinite under atmospheric conditions. (2009) (64)
- Adsorption and structure of water on kaolinite surfaces: possible insight into ice nucleation from grand canonical monte carlo calculations. (2008) (64)
- Solvation energy of ions in dipolar solvents (1983) (63)
- Aggregation in dilute aqueous tert-butyl alcohol solutions: insights from large-scale simulations. (2012) (62)
- The solution of the hypernetted‐chain and Percus–Yevick approximations for fluids of hard spherocylinders (1988) (62)
- Integral equation approximations for fluids of hard spheres with linear quadrupoles (1978) (59)
- Ion solvation dynamics in water–methanol and water– dimethylsulfoxide mixtures (1999) (59)
- Fluids of dipolar hard ellipsoids: Structural properties and isotropic–nematic phase transitions (1989) (59)
- Dynamics of molecular liquids: A comparison of different theories with application to wave vector dependent dielectric relaxation and ion solvation (1990) (59)
- Molecular dynamics simulations of ice nucleation by electric fields. (2012) (58)
- Structural and dynamical properties of ionic liquids: the influence of ion size disparity. (2008) (57)
- Why tert-butyl alcohol associates in aqueous solution but trimethylamine-N-oxide does not. (2006) (56)
- Structure of two‐component clusters (1994) (55)
- NMR of deuterium in liquid crystal mixtures (1984) (53)
- Monte Carlo calculation of y(r) for the hard-sphere fluid (1977) (53)
- Liquid-vapour co-existence of dipolar hard spheres (1979) (53)
- An analysis of fluctuations in supercooled TIP4P/2005 water. (2013) (52)
- The influence of urea and trimethylamine-N-oxide on hydrophobic interactions. (2007) (52)
- Understanding the structure factor and isothermal compressibility of ambient water in terms of local structural environments. (2012) (52)
- The frequency dependent conductivity of electrolyte solutions (1993) (52)
- Static dielectric properties of polarizable Stockmayer fluids (1981) (52)
- Theoretical results for dielectric and structural properties of aqueous electrolytes. The influence of ion size and charge (1983) (50)
- Evidence that crystal nucleation in aqueous NaCl solution Occurs by the two-step mechanism (2013) (50)
- Rotational motion in molecular liquids (1989) (50)
- The influence of water on the structural and transport properties of model ionic liquids. (2010) (48)
- Simulations of water transport through carbon nanotubes: how different water models influence the conduction rate. (2014) (47)
- Monte Carlo simulations of the adsorption of CO2 on the MgO(100) surface. (2006) (46)
- Modeling and structure of mercury-water interfaces (1997) (46)
- Coexistence and criticality of fluids with long-range potentials (2001) (44)
- Structural and dynamical properties of ionic liquids: The influence of charge location. (2009) (44)
- A CONFIGURATION BIAS MONTE CARLO METHOD FOR WATER (1995) (43)
- A Monte Carlo study of the dense polarizable dipolar hard sphere fluid (1979) (42)
- Molecular dynamics simulation of the plastic phase of solid methane (1980) (42)
- Computer simulation and theoretical results for a polar-polarizable fluid (1985) (41)
- Hydrophobic interactions in urea-trimethylamine-N-oxide solutions. (2008) (41)
- Ion association and condensation in primitive models of electrolyte solutions (1999) (41)
- Dielectric relaxation of electrolyte solutions: Is there really a kinetic dielectric decrement? (1993) (40)
- A comparison of liquid–vapor coexistence in charged hard sphere and charged hard dumbbell fluids (1995) (40)
- Simulated conduction rates of water through a (6,6) carbon nanotube strongly depend on bulk properties of the model employed. (2016) (40)
- Structural and dynamical properties of ionic liquids: Competing influences of molecular properties. (2010) (40)
- Molecular dynamics simulation of NaCl dissolution. (2015) (40)
- Theory of ion solvation dynamics in mixed dipolar solvents (1998) (39)
- Ionic solution near an uncharged surface with image forces (1981) (39)
- Liquid-vapor coexistence in fluids of dipolar hard dumbbells and spherocylinders (1999) (38)
- Ion solvation dynamics in binary mixtures (1997) (38)
- An accurate equation of state for fluids and solids. (2009) (37)
- Molecular solvent model for an electrical double layer: Reference hypernetted chain results for potassium chloride solutions (1989) (37)
- The application of integral equation theories to fluids of nonspherical particles near a uniform planar wall (1991) (36)
- Tracer diffusion in hard sphere fluids from molecular to hydrodynamic regimes. (2006) (36)
- The solution of the reference hypernetted-chain approximation for Stockmayer fluids (1985) (36)
- Structure of the metal-aqueous electrolyte solution interface (1997) (35)
- Structure and properties of the metal–liquid interface (1994) (35)
- Birth of NaCl Crystals: Insights from Molecular Simulations. (2016) (35)
- A comparison between molecular-dynamics and theoretical results for the structure of fluids of hard ellipsoids (1990) (34)
- Fluids of Lennard-Jones spheres with dipoles and tetrahedral quadrupoles (1984) (34)
- Microscopic theory of solvation dynamics in dipolar liquids (1993) (34)
- Vapour–liquid phase transition of dipolar particles (2009) (33)
- The relative motion of ions in solution. I. Microdynamical models and intermolecular dipolar spin relaxation (1984) (32)
- Fluctuations and local ice structure in model supercooled water. (2015) (32)
- Ice nucleation by electric surface fields of varying range and geometry. (2013) (32)
- Water adsorption on kaolinite surfaces containing trenches. (2010) (31)
- The solution of the reference hypernetted-chain approximation for fluids of hard spheres with dipoles and quadrupoles (1986) (31)
- Molecular solvent models of electrical double layers (1991) (31)
- Ferroelectric and dipolar glass phases of noncrystalline systems (1997) (31)
- On the molecular theory of aqueous electrolyte solutions. III. A comparison between Born–Oppenheimer and McMillan–Mayer levels of description (1988) (30)
- AN INVESTIGATION OF DYNAMICAL DENSITY FUNCTIONAL THEORY FOR SOLVATION IN SIMPLE MIXTURES (1998) (30)
- Critical comments on the nonlocal dielectric function employed in recent theories of the hydration force (1990) (30)
- Observations of high-density ferroelectric ordered water in kaolinite trenches using Monte Carlo simulations. (2010) (30)
- A theoretical study of the solid–electrolyte solution interface. I. Structure of a hard sphere ion–dipole mixture near an uncharged hard wall (1988) (29)
- Molecular solvent model for an electrical double layer: asymmetric solvent effects (1993) (29)
- Simulations of Ice Nucleation by Model AgI Disks and Plates. (2016) (29)
- Molecular solvent model for an electrical double layer: Reference hypernetted‐chain results for ion behavior at infinite dilution (1988) (28)
- Integral equation theory for dipolar hard sphere fluids with fluctuating orientational order (2000) (28)
- Association and microheterogeneity in aqueous 2-butoxyethanol solutions. (2011) (28)
- A theoretical study of a polar-polarizable model for liquid ammonia (1987) (27)
- Solvation dynamics in electrolyte solutions (1994) (27)
- Dielectric relaxation of electrolyte solutions: Molecular dynamics and theoretical results for ions in simple dipolar solvents (1994) (27)
- Dielectric relaxation of electrolyte solutions (1991) (26)
- Ion solvation in a water-urea mixture. (2010) (26)
- On the molecular theory of aqueous electrolyte solutions. IV. Effects of solvent polarizability (1990) (26)
- Understanding electrofreezing in water simulations. (2014) (26)
- The solution of the Percus–Yevick approximation for fluids with angle‐dependent pair interactions. A general method with results for dipolar hard spheres (1986) (25)
- Ground state configurations of model molecular clusters (1994) (25)
- A generalized Gaussian overlap model for fluids of anisotropic particles (1995) (25)
- A molecular dynamics investigation of the influence of water structure on ion conduction through a carbon nanotube. (2017) (25)
- Structure formation in dipolar fluids driven by rotating fields (2000) (24)
- A comparison between computer simulation and theoretical results for ionic solutions (1987) (24)
- Ionic Soft Matter: Modern Trends in Theory and Applications (2005) (24)
- On the self-consistent mean field theory for polar-polarizable fluids (1986) (24)
- On the existence of exact conditions in the theory of electrical double layers (1992) (24)
- PHASE BEHAVIOR OF IONIC SOLUTIONS : COMPARISON OF THE PRIMITIVE AND EXPLICIT SOLVENT MODELS (1999) (24)
- Ion association in model ionic fluids. (1999) (23)
- The potential of mean force for an infinitely dilute ionic solution (1978) (23)
- The interaction between macroparticles in molecular fluids (1990) (23)
- Stability of binary mixtures: Supersaturation limits of aqueous alkali halide solutions (1994) (22)
- Ferroelectric order in positionally frozen dipolar systems (2001) (22)
- GAS-LIQUID COEXISTENCE AND DEMIXING IN SYSTEMS WITH HIGHLY DIRECTIONAL PAIR POTENTIALS (1998) (22)
- Liquid crystal phases of dipolar discotic particles (1997) (21)
- Structure of the metal‐electrolyte solution interface: Theoretical results for simple models (1995) (21)
- Demixing and the force between parallel plates immersed in binary liquid mixtures (2001) (21)
- Localization of methanol, ethanol, and 2-propanol at micelles in water: an NMR T1-relaxation study (1987) (20)
- Dielectric relaxation of dipolar liquids (1993) (19)
- Molecular solvent model for an electrical double layer: Effects of ionic polarizability (1993) (19)
- Nonequilibrium molecular dynamics simulations of a simple dipolar fluid under shear flow (2002) (19)
- Structures and rearrangements of LiCl clusters. (2006) (19)
- Erratum: The solution of the hypernetted chain and Percus–Yevick approximations for fluids of hard nonspherical particles. Results for hard ellipsoids of revolution [J. Chem. Phys. 87, 1295 (1987)] (1988) (18)
- A theoretical study of simple liquid crystal models (1987) (17)
- Reference hypernetted-chain theory for dipolar hard spheres at charged surfaces (1989) (17)
- Forces between like-charged walls in electrolyte solution: Molecular solvent effects at the McMillan–Mayer level (2000) (17)
- The relative motion of ions in solution. II. An NMR relaxation study of attractive ions in water at low ionic strength (1984) (16)
- Melting point trends and solid phase behaviors of model salts with ion size asymmetry and distributed cation charge. (2015) (16)
- A configuration bias Monte Carlo method for ionic solutions (1994) (16)
- First passage times of driven DNA hairpin unzipping (2005) (15)
- Water adsorption in ion-bearing nanopores. (2007) (15)
- Structure and aggregation in model tetramethylurea solutions. (2014) (14)
- Simulations of water structure and the possibility of ice nucleation on selected crystal planes of K-feldspar. (2019) (14)
- How aggregation in aqueous 2-butoxyethanol solutions is influenced by temperature (2013) (14)
- Liquid–vapor criticality in a fluid of charged hard dumbbells (2003) (14)
- Dielectric relaxation of liquid mixtures (1991) (14)
- Double-layer structure at an ion-adsorbing surface (1990) (14)
- Effects of Inorganic Ions on Ice Nucleation by the Al-Surface of Kaolinite Immersed in Water. (2020) (14)
- A thermodynamic perturbation theory study of a defense fluid of polar and polarizable hard spheres (1976) (13)
- A mean field theory for fluids of multipolar particles in contact with a polarizable wall (1992) (13)
- Forces between chemically patterned plates immersed in binary liquid mixtures (2002) (13)
- Dielectric relaxation of chained ferrofluids (2002) (13)
- Comparison of simulation and experimental results for a model aqueous tert-butanol solution. (2017) (13)
- The composition of liquid methane–nitrogen aerosols in Titan’s lower atmosphere from Monte Carlo simulations (2011) (13)
- Crystallization of dipolar spheres: A discussion of second-order density functional theory (2000) (13)
- Forces between like-charged plates in electrolyte solution: ion-solvent packing versus electrostatic effects. (1999) (13)
- A Unified Description of Diffusion Coefficients from Small to Large Molecules in Organic-Water Mixtures. (2020) (13)
- Structural behavior of aqueous t-butanol solutions from large-scale molecular dynamics simulations. (2019) (11)
- Mechanism of Urea Crystal Dissolution in Water from Molecular Dynamics Simulation. (2018) (10)
- Remarks on the forces between macroscopic particles in solution (1996) (10)
- Forces between like-charged walls in an electrolyte solution: A comparison of McMillan–Mayer results for several models (2000) (9)
- Orientational order in model dipolar fluids. (1999) (9)
- Models for strongly polar liquids. The influence of molecular polarizability (1980) (8)
- Crystal structures of model lithium halides in bulk phase and in clusters. (2017) (8)
- Activity coefficients of model aqueous electrolyte solutions: Sensitivity to the short range part of the interionic potential (1991) (8)
- Surface-induced ordering of nematics in an external field: the strong influence of tilted walls. (2004) (8)
- Why α-Alumina Is an Effective Ice Nucleus (2019) (8)
- How Microscopic Features of Mineral Surfaces Critically Influence Heterogeneous Ice Nucleation (2021) (8)
- A Monte Carlo study of model electrorheological fluids (1999) (7)
- How distributed charge reduces the melting points of model ionic salts. (2014) (7)
- Molecular dynamics simulations of a ferroelectric nematic liquid under shear flow (2002) (6)
- Erratum: Thermodynamic perturbation theory of a dense fluid of polar and polarizable spheres (1978) (6)
- Influence of urea on tert-butyl alcohol aggregation in aqueous solutions. (2012) (6)
- The potential of mean force in simple polar/non-polar mixtures (1979) (6)
- Nanoscopic liquid bridges between chemically patterned atomistic walls. (2006) (6)
- Surfactant-stabilized structures in confined liquids (2003) (6)
- Orientational ordering and disordering of a simple dipolar fluid under shear flow (2002) (6)
- Molecular dynamics simulation of aspirin dissolution (2017) (5)
- Colloidal interactions in nematic fluids. (2006) (5)
- Nematic fluid structure in wall-field geometry. (2005) (5)
- Structure and adsorption of water in nonuniform cylindrical nanopores. (2010) (5)
- Molecular Simulations of Feldspar Surfaces Interacting with Aqueous Inorganic Solutions: Interfacial Water/Ion Structure and Implications for Ice Nucleation (2021) (5)
- A proton NMR relaxation study of tetramethylammonium and acetate ions interacting with hydrated manganese(II) in dilute aqueous solutions (1987) (5)
- The influence of ion hydration on nucleation and growth of LiF crystals in aqueous solution. (2018) (5)
- The constant-volume heat capacity of near-critical fluids with long-range interactions: A discussion of different Monte Carlo estimates (2003) (5)
- Constant-volume heat capacity in a near-critical fluid from Monte Carlo simulations. (2004) (5)
- Bridging the gap between phenomenology and microscopic theory: asymptotes in nematic colloids. (2008) (5)
- Shearing of nanoscopic bridges in two-component thin liquid layers between chemically patterned walls. (2004) (5)
- Charge ordering induces a smectic phase in oblate ionic liquid crystals. (2010) (5)
- Unraveling the Mechanism of Ice Nucleation by Mica (001) Surfaces (2021) (4)
- An NMR relaxation study of the orientation-dependent collision of attractive ions in water (1985) (4)
- Dynamic behavior of the ion pair tetramethylphosphonium/nitrosodisulfonate in water-d2 solution by proton, carbon-13, and phosphorus-31 NMR relaxation (1990) (4)
- A general treatment of polar-polarizable systems for an equation of state (2014) (4)
- Solvent phase behavior and the interaction of uniform and patterned solutes. (2005) (3)
- Liquid-Vapor Criticality in Coulombic and Related Fluids (2005) (3)
- The interaction of patterned solutes in binary solvent mixtures. (2006) (3)
- The crystallization of alkali halides from aqueous solution: An application of density‐functional theory (1991) (3)
- Colloid-induced structure in liquid crystal media. (2005) (3)
- On the theoretical calculation of the dielectric constant of dilute electrolyte solutions (1985) (3)
- On the dielectric constant of liquid ammonia (1986) (3)
- Nematic-fluid structure in wall-field geometry. II. The direct correlation function. (2006) (2)
- A 7Li NMR investigation of the ion pairs Li+/.ON(SO3)22− and Li+/Mn(D2O)62+ in D2O solution (1986) (2)
- Improved ansatz for the direct correlation function in dilute nematic colloids (2007) (2)
- Wall–colloid interaction in nematic solvents: external field effects (2009) (2)
- Analysis of the relative stability of lithium halide crystal structures: Density functional theory and classical models. (2021) (1)
- First passage times of pulling-assisted DNA unzipping (2004) (1)
- A simple model of spin transitions in polymeric materials (1998) (1)
- Heterogeneous ice nucleation on the muscovite mica surface (0)
- Localization of Methanol, Ethanol, and 2-Propanol at Micelles in Water: An NMR T1-Relaxation Study. (1987) (0)
- Liquid Nanostructures: Phase Transitions, Forces and Friction (2004) (0)
- The Relative Motion of lons in Solution. Part 1. Microdynamical Models and Intermolecular Dipolar Spin Relaxation. Part 2. An NMR Relaxation Study of Attractive Ions in Water at Low Ionic Strength (1984) (0)
- Phase Separation in Binary Clusters (1994) (0)
- Binary salt structure classification with convolutional neural networks: Application to crystal nucleation and melting point calculations. (2022) (0)
- Ice Nucleation by the Primary Prism Face of Silver Iodide (2022) (0)
- Influence of pH on Ice Nucleation by Kaolinite: Experiments and Molecular Simulations. (2022) (0)
- Molecular dynamics approach to assess aqueous alteration of potassium-rich feldspar surfaces (2021) (0)
- NMR of Solutes in Liquid Crystalline Solvents: Mechanisms of Orientational Order (1988) (0)
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