Paul Madden
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British chemist
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Computer Science
Paul Madden 's Degrees
- PhD Computer Science Stanford University
- Masters Computer Science Stanford University
- Bachelors Computer Science Stanford University
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Why Is Paul Madden Influential?
(Suggest an Edit or Addition)According to Wikipedia, Paul Anthony Madden, is a British chemist and former Provost of The Queen's College, Oxford. Early life Madden attended St Bede's Grammar School, a Catholic boys' grammar school in Bradford, Yorkshire, England. He gained BSc and DPhil degrees in chemistry at the University of Sussex. His doctoral thesis was titled "Reactive Scattering Calculations" and was completed in 1974.
Paul Madden 's Published Works
Number of citations in a given year to any of this author's works
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
- On the molecular origin of supercapacitance in nanoporous carbon electrodes. (2012) (799)
- Hydration and mobility of ions in solution (1983) (751)
- Highly confined ions store charge more efficiently in supercapacitors (2013) (461)
- Molecular dynamics without effective potentials via the Car-Parrinello approach (1990) (439)
- Electrochemical interface between an ionic liquid and a model metallic electrode. (2007) (263)
- Entropy-driven formation of a superlattice in a hard-sphere binary mixture (1993) (257)
- ‘Covalent’ effects in ‘ionic’ systems (1996) (238)
- Spectroscopic and transport properties of water (1982) (235)
- LIGHT SCATTERING STUDIES OF MOLECULAR LIQUIDS (1980) (231)
- Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces? (2013) (194)
- The electric double layer has a life of its own (2014) (176)
- On the dynamics of charging in nanoporous carbon-based supercapacitors. (2014) (161)
- A computer simulation study of the dielectric properties of a model of methyl cyanide (1984) (157)
- In-crystal polarizabilities of alkali and halide ions (1984) (157)
- Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic (2013) (151)
- An effective pair potential for liquid acetonitrile (1983) (147)
- An effective pair potential for liquid carbon disulphide (1981) (146)
- Computer simulations of ionic liquids at electrochemical interfaces. (2013) (146)
- Nonlinear counterion screening in colloidal suspensions (1993) (144)
- Polarization effects in ionic systems from first principles (1993) (135)
- Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations (2011) (127)
- On the infrared and raman spectra of water in the region 5–250 cm−1 (1986) (122)
- Polarization effects in ionic solids and melts (2011) (120)
- Theory of dielectric relaxation (1975) (118)
- Time correlation functions for a model of liquid carbon disulphide (1983) (117)
- Quadrupole Polarization in Simulations of Ionic Systems: Application to AgCl (1996) (117)
- Including many-body effects in models for ionic liquids (2012) (114)
- A Consistent Molecular Treatment of Dielectric Phenomena (2007) (114)
- Properties of liquid CS2 from the allowed light scattering spectra (1979) (113)
- Ewald summation of electrostatic multipole interactions up to the quadrupolar level (2003) (105)
- Statistical model for the structure and gelation of smectite clay suspensions (1997) (104)
- Interaction-induced contributions to Rayleigh and allowed Raman bands (1985) (101)
- Voids, Layers, and the First Sharp Diffraction Peak in ZnCl 2 (1998) (99)
- Charge fluctuations in nanoscale capacitors. (2013) (98)
- The in-crystal polarizability of the fluoride ion (1983) (98)
- Oxygen vacancy ordering within anion-deficient Ceria (2009) (96)
- Is a Stern and diffuse layer model appropriate to ionic liquids at surfaces? (2013) (95)
- Oxygen Vacancy Ordering and the Conductivity Maximum in Y2O3-Doped CeO2 (2012) (95)
- In-crystal polarizability of the oxide ion (O2-) (1985) (94)
- Influence of solvation on the structural and capacitive properties of electrical double layer capacitors (2013) (93)
- Water at an electrochemical interface--a simulation study. (2008) (91)
- Theory of vibrational linewidths (1976) (91)
- A comparative study of the interaction induced spectra of liquid CS2 (1980) (90)
- Heat-transport properties of molten fluorides: Determination from first-principles (2009) (90)
- Potential-induced ordering transition of the adsorbed layer at the ionic liquid/electrified metal interface. (2010) (89)
- A first-principles description of liquid BeF2 and its mixtures with LiF: 1. Potential development and pure BeF2. (2006) (89)
- Dielectric friction and molecular reorientation (1982) (88)
- Order N ab initio Molecular Dynamics with an Orbital-Free Density Functional (1993) (87)
- A first-principles description of liquid BeF2 and its mixtures with LiF: 2. Network formation in LiF-BeF2. (2006) (86)
- Conductivity-viscosity-structure: unpicking the relationship in an ionic liquid. (2007) (85)
- Molecular dynamics simulations of compressible ions (1996) (84)
- Calculation of activities of ions in molten salts with potential application to the pyroprocessing of nuclear waste. (2008) (84)
- The stability of the AB13 crystal in a binary hard sphere system (1993) (82)
- The orientational correlation parameter for liquid CS2, C6H6 and C6F6 (1979) (80)
- The depolarized Rayleigh scattering from fluids of spherical molecules (1978) (79)
- Evaluation of the many-body contributions to the interionic interactions in MgO (1998) (79)
- From first-principles to material properties (2006) (78)
- Modeling Earth materials from crustal to lower mantle conditions: A transferable set of interaction potentials for the CMAS system (2007) (78)
- Short- and intermediate-range order in MCl2 melts: the importance of anionic polarization (1993) (76)
- Structural Disorder in Doped Zirconias, Part II: Vacancy Ordering Effects and the Conductivity Maximum. (2011) (74)
- The interaction induced spectra of liquid CS2 (1983) (74)
- Multipoles and interaction potentials in ionic materials from planewave-DFT calculations. (2003) (74)
- Calculations of the thermal conductivities of ionic materials by simulation with polarizable interaction potentials. (2009) (72)
- Collision-induced polarizabilities of inert gas atoms (1978) (71)
- Ion mobilities and microscopic dynamics in liquid (Li,K)Cl. (2004) (68)
- Interionic potentials from ab initio molecular dynamics: The alkaline earth oxides CaO, SrO, and BaO (2003) (68)
- Screening at a charged surface by a molten salt (2004) (67)
- Binary hard-sphere mixtures: a comparison between computer simulation and experiment (1995) (67)
- Structure of molten MCl3 systems from a polarizable ion simulation model (1999) (66)
- Molecular motion in a model of liquid acetonitrile (1984) (65)
- Ions in solutions: Determining their polarizabilities from first-principles. (2011) (65)
- Electrochemical charge transfer at a metallic electrode: a simulation study. (2008) (64)
- Growth of ionic crystals in carbon nanotubes. (2001) (63)
- A unified description of MCI3 systems with a polarizable ion simulation model (2001) (62)
- Diffusion coefficients and local structure in basic molten fluorides: in situ NMR measurements and molecular dynamics simulations. (2009) (61)
- Solvation at Aqueous Metal Electrodes (2012) (60)
- The interpretation of vibrational spectra of ionic melts (1997) (58)
- Ion adsorption at a metallic electrode: an ab initio based simulation study (2009) (57)
- `Covalent' effects in `ionic' liquids (2000) (56)
- Structural Disorder in Doped Zirconias, Part I: The Zr0.8Sc0.2-xYxO1.9 (0.0 ≤x ≤ 0.2) System (2011) (56)
- Structure and dynamics at the aluminum solid–liquid interface: An ab initio simulation (2000) (55)
- A computer simulation investigation into the stability of the AB2 superlattice in a binary hard sphere system (1993) (55)
- Dipole and quadrupole polarization in ionic systems: Ab initio studies (1999) (55)
- High-pressure behaviour of GeO2: a simulation study (2010) (53)
- Diffusion coefficients in ionic liquids: relationship to the viscosity. (2005) (53)
- A computer simulation study of the dielectric properties of a model of methyl cyanide: II. The interference of permanent and induced dipoles (1984) (53)
- Stability of the AB crystal for asymmetric binary hard sphere mixtures (1997) (53)
- Raman spectra of ionic liquids: a simulation study of LaCl3 and its mixtures with alkali chlorides. (2004) (50)
- Transformations between tetrahedrally and octahedrally coordinated crystals: the wurtzite → rocksalt and blende → rocksalt mechanisms (2002) (49)
- The high-temperature superionic behaviour of Ag2S (2002) (48)
- From molten salts to room temperature ionic liquids: simulation studies on chloroaluminate systems. (2013) (48)
- The construction of a reliable potential for GeO2 from first principles (2009) (47)
- Lithium intercalation into TiO2(B): A comparison of LDA, GGA, and GGA+U density functional calculations (2012) (47)
- Local coordination about La(3+) in molten LaCl3 and its mixtures with alkali chlorides. (2010) (47)
- Polarizabilities of individual molecules and ions in liquids from first principles (2008) (46)
- New insights into the melting behavior of MgO from molecular dynamics simulations: the importance of premelting effects. (2005) (45)
- Molecular dynamics simulation of the thermodynamic and transport properties of the molten salt fast reactor fuel LiF–ThF4 (2013) (45)
- ENVIRONMENTAL EFFECTS ON ANION POLARIZABILITY : VARIATION WITH LATTICE PARAMETER AND COORDINATION NUMBER (1998) (45)
- Three-body dispersion contributions to the thermodynamic properties and effective pair interactions in liquid argon (1999) (44)
- Fluoride ion disorder and clustering in superionic PbF2 (2001) (44)
- Local structure and ionic conductivity in the Zr2Y2O7–Y3NbO7 system (2009) (43)
- Nature of the superionic transition in Ag+ and Cu+ halides (2003) (43)
- A dipole polarizable potential for reduced and doped CeO2 obtained from first principles (2011) (41)
- On the calculation of the orientational correlation parameter g 2 (1981) (41)
- Characterizing heterogeneous dynamics at hydrated electrode surfaces. (2013) (41)
- Thermal conductivity of ionic systems from equilibrium molecular dynamics (2011) (41)
- Water exchange at a hydrated platinum electrode is rare and collective (2015) (40)
- On the observation of propagating sound modes at high momentum transfer in viscous liquids and glasses (1998) (40)
- The structure of molten and simulated with polarizable- and rigid-ion models (1999) (39)
- Thermal conductivity of molten alkali metal fluorides (LiF, NaF, KF) and their mixtures. (2014) (38)
- Raman spectra of ionic liquids: a simulation study of AlF3 and its mixtures with NaF. (2006) (38)
- A microscopic mechanism for shock‐wave generation in pulsed‐laser‐heated colloidal suspensions (1992) (38)
- Transient grating effects in absorbing colloidal suspensions (1992) (38)
- MetalWalls: A classical molecular dynamics software dedicated to the simulation of electrochemical systems (2020) (38)
- Structure and dynamics of liquid lithium: comparison of ab initio molecular dynamics predictions with scattering experiments (1999) (37)
- The vibrational and rotational relaxation of iodine in solution by resonance Raman lineshape measurement (1978) (37)
- Structure and dynamics in liquid alumina: Simulations with an ab initio interaction potential (2007) (37)
- In-crystal hyperpolarizabilities of F - and Cl - (1984) (36)
- X-ray diffraction and molecular dynamics simulation studies of molten uranium chloride (2005) (36)
- A molecular theory of Stokes–Einstein behavior. I. Translational Brownian motion (1981) (36)
- Molecular dynamics simulations of the liquid–vapor interface of a molten salt. I. Influence of the interaction potential (2001) (35)
- Anion polarization and the stability of layered structures in MX2 systems (1994) (35)
- Condensed phase ionic polarizabilities from plane wave density functional theory calculations. (2006) (35)
- Prediction of the thermophysical properties of molten salt fast reactor fuel from first-principles (2014) (35)
- Structure and dynamics in yttrium-based molten rare earth alkali fluorides. (2013) (35)
- Raman spectra of ionic liquids: interpretation via computer simulation. (2004) (34)
- A transferable interatomic potential for MgO from ab initio molecular dynamics (2002) (34)
- Structure and Raman spectra in cryolitic melts: simulations with an ab initio interaction potential. (2014) (34)
- Cation composition effects on oxide conductivity in the Zr2Y2O7–Y3NbO7 system (2009) (34)
- Overlap-model and ab initio cluster calculations of ion properties in distorted environments (2001) (34)
- Ab initio pseudopotentials for orbital-free density functionals (1998) (33)
- Intermediate range chemical ordering of cations in simple molten alkali halides (2008) (33)
- Charge fluctuations from molecular simulations in the constant-potential ensemble. (2019) (33)
- The nature of the “vibrational modes” of the network-forming liquid ZnCl2 (1998) (33)
- An atomistic MD simulation and pair-distribution-function study of disorder and reactivity of alpha-AlF3 nanoparticles. (2006) (32)
- Thermal properties of the self-interstitial in aluminum: An ab initio molecular-dynamics study (1997) (32)
- The construction and application of a fully flexible computer simulation model for lithium oxide (2004) (32)
- Fully transferable interatomic potentials for large-scale computer simulations of simple metal oxides: Application to MgO (2004) (32)
- Ab initio determination of the melting point of aluminum by thermodynamic integration (2000) (31)
- STRUCTURE OF LIQUID AL2O3 FROM A COMPUTER SIMULATION MODEL (1999) (31)
- Light scattering by alkali halide melts: A computer simulation study (1991) (31)
- A molecular theory of the dielectric permittivity of a nematic liquid crystal (1983) (31)
- Pressure-driven sphalerite to rock salt transition in ionic nanocrystals: A simulation study (2004) (30)
- The dynamic structure of liquid sodium from ab initio simulation (1994) (30)
- Dynamic Response in Nanoelectrowetting on a Dielectric. (2016) (30)
- Transferable interaction model forAl2O3 (2006) (29)
- Polarization effects in the simulation of lead (II) fluoride (1999) (29)
- Collision induced raman spectra of liquid CS2 (1976) (29)
- A comparative study of the interaction-induced spectra of liquid CS2: III. Solutions (1981) (29)
- Light scattering by alkali halides melts: a comparison of shell-model and rigid-ion computer simulation results (1991) (28)
- Are dipolar liquids ferroelectric? Simulation studies. (2007) (28)
- Relationships between atomic diffusion mechanisms and ensemble transport coefficients in crystalline polymorphs. (2014) (28)
- Simulation of pressure-driven phase transitions from tetrahedral crystal structures (2002) (28)
- Molecular dynamics simulations of the liquid–vapor interface of a molten salt. II. Finite size effects and comparison to experiment (2001) (28)
- Structure of normal and supercooled liquid aluminum oxide (2005) (27)
- Crystal structure and surface relaxation in with a transferable oxide interaction potential (1999) (27)
- Coordination numbers and physical properties in molten salts and their mixtures. (2016) (26)
- Self‐interaction corrected density functionals and the structure of metal clusters (1993) (26)
- ION-ELECTRON CORRELATIONS IN LIQUID METALS FROM ORBITAL-FREE AB INITIO MOLECULAR DYNAMICS (1998) (26)
- RAMAN SCATTERING IN THE NETWORK LIQUID ZNCL2 RELATIONSHIP TO THE VIBRATIONAL DENSITY OF STATES (1999) (26)
- The 'polymeric' structure of BeCl2 from an ionic simulation model (1997) (25)
- Internal mobilities and diffusion in an ionic liquid mixture. (2010) (25)
- Study of the Nature and Mechanism of the Rhombohedral-to-Cubic Phase Transition in α-AlF3 with Molecular Dynamics Simulations (2004) (24)
- Cluster Formation in Sodium-Doped Zeolite Y: Ab-Initio Simulation Study (1995) (24)
- Simulation of the pressure-driven wurtzite to rock salt phase transition in nanocrystals. (2006) (24)
- Short-Range Contributions to the Polarization of Cations (2001) (23)
- Theory of self-diffusion in alkali metals : I. Results for monovacancies in Li, Na, and K (2000) (23)
- The lineshape of the depolarised rayleigh scattering from liqiud argon (1977) (23)
- The “ionic” to “molecular” transitions in AlCl3 and FeCl3 as predicted by an ionic interaction model (1999) (23)
- The orientational correlation parameter g2 of symmetrical benzene derivatives (1980) (23)
- Molecular dynamics simulations of the liquid–vapor interface of a molten salt. III. Size asymmetry effects and binary mixtures (2002) (22)
- Application of density functional theory to calculation of in-crystal anionic polarizability (1999) (22)
- Voids in network-forming liquids and their influence on the structure and dynamics (1998) (22)
- Structural and transport properties in the Ag3SI system: a molecular dynamics study of alpha, beta and molten phases (2004) (22)
- The Raman spectra of alkali halide melts: A theoretical description (1991) (22)
- Ionic to molecular transition in AlCl3: an examination of the electronic structure (2002) (22)
- Structural study of molten lanthanum halides by X-ray diffraction and computer simulation techniques (2005) (21)
- INTERIONIC INTERACTIONS AND FAST-ION CONDUCTION IN CAF2 (1996) (21)
- The breakdown of the isolated binary collision hypothesis for near-resonant VV processes in liquid argon (1989) (20)
- Pressure-Driven Phase Transitions in Crystalline Nanoparticles: Surface Effects on Hysteresis (2007) (20)
- The crystal structure of α-PbSnF4 and its anion diffusion mechanism (2005) (20)
- A molecular dynamics study of structural relaxation in tetrahedrally coordinated nanocrystals. (2007) (20)
- Instantaneous normal mode prediction for cation and anion diffusion in ionic melts (1997) (19)
- Dynamical Arrest in Superionic Crystals and Supercooled Liquids (2004) (19)
- Polarization effects on the structure and dynamics of ionic melts (1994) (19)
- Cation polarizability from first-principles: Sn2+ (2001) (18)
- Oxide potentials from ab initio molecular dynamics: An assessment of their transferability (2003) (18)
- Relationship of crystal structures to interionic interactions in mono-, di-, tri- and ter-valent metal oxides (1997) (18)
- Fluctuating ionic polarizabilities in the condensed phase: first-principles calculations of the Raman spectra of ionic melts (2008) (17)
- Interaction-Induced Phenomena (1984) (17)
- Dynamic simulation of pressure-driven phase transformations in crystalline Al2O3 (2004) (17)
- LETTER TO THE EDITOR: The density of states of a spatially disordered system: theory compared with simulation (1989) (17)
- Simulation of the liquid–vapor interface of molten LiBeF3 (2007) (17)
- Interaction-induced spectra of CO2 (1985) (17)
- Control of the adiabatic electronic state in ab initio molecular dynamics (1993) (17)
- Light scattering by liquid and solid sodium chloride. A simulation study (1987) (17)
- Ion mobility in α-PbF2: a computer simulation study (2001) (16)
- Reorientational motion in liquid MeCN and its relationship to the properties of the intermolecular torques (1986) (16)
- Vibrational relaxation in liquids: II. The role of orientation density fluctuations (1978) (16)
- Unstable modes in ionic melts (1998) (15)
- Short- and intermediate-range order in molten metal tribromides: a computer simulation study (2000) (15)
- Amorphization of a substitutional binary alloy: a computer 'experiment' (1992) (15)
- Cation polarization and the crystal structure of SnO (1996) (15)
- Overlap model and ab initio cluster calculations of polarisabilities of ions in solids (1999) (15)
- Induced-dipole contributions to the conductivity and dielectric response of molten ZnCl2 (2000) (15)
- On the dielectric constant of non-polar fluids (1982) (15)
- The effect of nuclear spin on the polarisation ratio of resonance fluorescence (1975) (14)
- Boson peaks and slow relaxation in a simulation of a network-forming ionic melt (1995) (14)
- Novel simulation model for many-body multipole dispersion interactions (1998) (14)
- Ionic motion in crystalline cryolite. (2006) (14)
- Is depolarized light scattered from simple liquids mainly double-scattered? (1979) (14)
- Degenerate four-wave mixing in the isotropic phase of liquid crystals: The influence of molecular structure (1986) (14)
- Grain boundary migration at finite temperature: an ab initio molecular dynamics study (1998) (14)
- Models of environmental effects on anion polarizability (1999) (13)
- Ionic diffusion within the α* and β phases of Ag3SI (2007) (13)
- Selection rules for collisional energy transfer in homonuclear diatomics elastic collisions and the influence of nuclear spin (1977) (13)
- High-pressure forms of lithium sulphate: Structural determination and computer simulation (2005) (13)
- On the second dielectric virial coefficients of methane and the inert gases (1982) (13)
- The energy landscape of a fluorite-structured superionic conductor (2004) (13)
- Oxygen-oxygen correlations in liquid water (1982) (12)
- A Dipole Polarizable Potential for Reduced and Doped CeO 2 from First-Principles (2011) (12)
- Simulation of CaF2 in the superionic state: comparison of an empirical and realistic potential (2004) (12)
- Optimally localized Wannier functions within the Vanderbilt ultrasoft pseudo-potential formalism (2001) (12)
- A molecular theory of Stokes–Einstein behavior. II. Rotational diffusion of a Brownian sphere (1981) (12)
- The critical contribution to vibrational dephasing: I. The gas-liquid critical point (1979) (12)
- Effects of lattice polarity on interfacial space charges and defect disorder in ionically conducting AgI heterostructures. (2011) (12)
- Comment on "A centroid molecular dynamics study of liquid para hydrogen and ortho deuterium" [J. Chem. Phys. 121, 6412 (2004)]. (2005) (11)
- A transferable representation of the induced multipoles in ionic crystals (2002) (11)
- Modeling of Molten Salts (2013) (10)
- Comparison of the rate constants for VV energy transfer in the gas and liquid phases (1987) (10)
- Thermal conductivity of simple liquids: origin of temperature and packing fraction dependences. (2014) (10)
- Relaxation effects in resonance Raman spectra (1976) (10)
- Comments on the dielectric relaxation of small parts of a large system (1984) (10)
- A GENERIC IONIC POTENTIAL FOR THE ALKALINE-EARTH OXIDES AND THE ANOMALOUS CRYSTAL STRUCTURE OF ZNO (1997) (10)
- Dynamics of Coordinated Water: A Comparison of Experiment and Simulation Results a (1986) (10)
- Polarisation and material dependence of degenerate four-wave mixing transients in molecular fluids (1990) (9)
- Interaction‐induced light scattering near the glass transition: A computer simulation study (1993) (9)
- LETTER TO THE EDITOR: The EMA for a two-band spatially disordered system: comparison of simulation with theory (1989) (9)
- Interaction-Induced, Subpicosecond Phenomena in Liquids (1984) (9)
- A kinetic theory of collision‐induced depolarized light scattering (1988) (9)
- Structural investigation on lead fluoride lithium fluoride at various compositions and temperatures (2005) (9)
- Atomic dynamics of alumina melt: A molecular dynamics simulation study (2008) (9)
- Light scattering studies of the dynamics and structure of liquids (1979) (9)
- Progress in Molten Salt Chemistry 1, Prof N J Bjerrum Special Volume (2000) (8)
- Theoretical calculation of the structure of a polarizable-ionic fluid (2003) (8)
- Absence of a space-charge-derived enhancement of ionic conductivity in β|γ- heterostructured 7H- and 9R-AgI (2012) (8)
- Molecular aspects of the Eu3+/Eu2+ redox reaction at the interface between a molten salt and a metallic electrode (2015) (8)
- Theory of dielectric relaxation for a liquid consisting of two nonpolarizable dipolar species (1983) (7)
- The exponential approximation for collinear reactive scattering (1975) (7)
- Dipole-induced-dipole polarizabilities of symmetric clusters (2000) (7)
- Nuclear Quadrupole Coupling of 17O and 33S in Ionic Solids: Invalidation of the Sternheimer Model by Short-Range Corrections (2002) (7)
- Optical basicity scales in protic solvents: water, hydrogen fluoride, ammonia and their mixtures. (2011) (7)
- The effect of dispersion interactions on the properties of LiF in condensed phases (2014) (6)
- Materials science: A hard look at glass (2005) (6)
- Quantum mechanical calculations on collinear reactive collisions over potential wells (1976) (6)
- Disorder and Electron Interactions in Expanded Liquid Metals (1994) (6)
- Vibrational energy transfer and pair dynamics in liquids : a kinetic theory study (1991) (6)
- Interaction-Induced Vibrational Spectra in Liquids (1985) (5)
- A novel simulation model for three-body dispersion interactions (1996) (5)
- Matrix effects on the geometry of CaF2 – a consequence of polarization effects? (1999) (5)
- The forbidden raman (v2, πu) transition in crystalline CS2 (1981) (5)
- and relaxation processes in - a computer simulation study (1999) (5)
- Simulation study of Al3+ coordination in NaF–AlF3 mixtures: development of interaction potentials (1999) (5)
- Al3+ Coordination in Cryolitic Melts: A Computer Simulation Study (1999) (5)
- Study of Fluoride Ion Motions in PbSnF4 and BaSnF4 Compounds With Molecular Dynamics Simulation and Solid State NMR Techniques (2000) (4)
- A theoretical analysis of the high-resolution SEPI Raman technique (1985) (4)
- Light scattering by liquid LiCl: a computer simulation and theoretical study (1990) (4)
- Molecular dynamics simulation of ionic transport at coherent interfaces in fluorite heterostructures (2014) (4)
- Thorium Molten Salts: Theory and Practice (2016) (4)
- Exact results for light scattering by dense systems of isotropic particles: How good is the DID model (1981) (4)
- Theory of self-diffusion in alkali metals II. The influence of divacancies in Li (2000) (3)
- Vibrational relaxation of nitrate anion in aqueous electrolyte solutions (1979) (3)
- A dipole polarizable potential for reduced and doped CeO[subscript 2] obtained from first principles (2011) (3)
- Measurement of the Nonlinear Susceptibility of Liquid Crystal Materials in the Isotropic Phase (1986) (3)
- Statistical transport theory of reacting two-component fluid: Light scattering from an A⇄B liquid (1975) (2)
- Structure and Short Timescale Ion Dynamics of Potassium-Ammonia Graphite Intercalation Compounds (2002) (2)
- Conduction and disorder in Y3NbO7 - Zr2Y2O7 (2008) (2)
- The Interference of Molecular and Interaction-Induced Effects in Liquids (1985) (2)
- An application of Thomas-Fermi molecular dynamics to metal-solutions solutions (1993) (2)
- A molecular model of the hydrodynamic stick boundary condition (1981) (2)
- Workshop Report: The Interference of Induced and Allowed Molecular Moments in Liquids (1985) (1)
- Mode coupling at low densities (1981) (1)
- Dielectric constant of a hard‐sphere fluid with induced dipoles and quadrupoles: Comparison of theory and simulation (1992) (1)
- An Atomistic MD Simulation and Pair-Distribution-Function Study of Disorder and Reactivity of α-AlF3 Nanoparticles. (2007) (1)
- Molecular Dynamics Simulation of Coherent Interfaces in Fluorite Heterostructures (2014) (1)
- A molecular theory of Stokes–Einstein behavior. III. Translational Brownian motion in a compressible fluid (1981) (1)
- Resonance Raman lineshape studies of vibrational and rotational relaxation in solution (1977) (1)
- STRUCTURE AND MOTION IN MOLECULAR LIQUIDS - 13TH, 14TH AND 15TH SEPTEMBER, 1978 - GENERAL DISCUSSION (1978) (1)
- A Theoretical Study of the Electronic and Optical Properties of the Graphite Intercalation Compound K(NH3)4C24 (2002) (1)
- Study of the Nature and Mechanism of the Rhombohedral‐to‐Cubic Phase Transition in α‐AlF3 with Molecular Dynamics Simulations. (2004) (1)
- Nonlinear Refractive Index Measurements of Isotropic Liquid Crystals. (1985) (0)
- The Electrode– Ionic Liquid Interface: A Molecular Point of View (2014) (0)
- Structural aspects of molten salts: until the millenium and beyond. (2000) (0)
- Ab-initio molecular dynamics studies of molecular systems (1991) (0)
- MetalWalls 20.05 (2020) (0)
- α and β relaxation processes in ZnCl2: a computer simulation study (1999) (0)
- Ab Initio Molecular Dynamics Applied to Molecular Systems (2008) (0)
- Molecular dynamics simulations of BeF2 and LiF-BeF2 mixtures using interaction potentials derived from first-principles (2006) (0)
- Measurements of the nonlinear susceptibility of nematogens in the isotropic phase (1985) (0)
- Polarization effect on the static and dynamic properties of molten lithium iodide (1995) (0)
- Understanding the Charging Mechanism of Nanoporous Carbon Electrodes from Molecular Dynamics Simulations (2012) (0)
- in the constant-potential ensemble. (2019) (0)
- Molten Salts: from First Principles to Material Properties (2014) (0)
- Al Coordination in Cryolitic Melts: A Computer Simulation Study (0)
- Structural analysis of molten salts by synchrotron radiation EXAFS technique and development of x-ray imaging study (2010) (0)
- Coordination in Cryolitic Melts : A Computer Simulation Study (2013) (0)
- Intermolecuiar Dynamics in Liquids on the Subpicosecond Time Scale (1984) (0)
- TOPICAL REVIEW Polarization effects in ionic solids and melts (2011) (0)
- AND INTERACTION-INDUCED EFFECTS IN LIQUIDS (1985) (0)
- Vacancy ordering effects on the conductivity of yttria- and scandia-doped zirconia (2010) (0)
- New Vistas for First-Principles Simulation (1999) (0)
- Measurement of thermal and reorientational third order optical nonlinearities in liquid crystal fluids with absorption (1989) (0)
- On the effect of anharmonicity in the H+H2 reaction (1975) (0)
- Light Scattering and Related Topics (1987) (0)
- Nonlinear Optical Susceptibilities of Binary Mixtures of Liquid Crystals (1984) (0)
- Models of environmental eÄ ects on anion polarizability (1999) (0)
- dynamics of water at the 100 and 111 surfaces of platinum electrodes (2010) (0)
- Comment on: Dielectric constant of a hard-sphere fluid with induced dipoles and quadrupoles (1992) (0)
- Slow Relaxation and the Strength of Network-Forming Liquids (1998) (0)
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