World's Best Scientists 2026 revealed!

Research.com Recognitions

  • 2006 - Fellow of the Royal Society of Edinburgh
  • 2001 - Fellow of the Royal Society, United Kingdom
  • 1993 - Tilden Prize, Royal Society of Chemistry (UK)

Overview

What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Electron
  • Ion

Paul A. Madden mostly deals with Analytical chemistry, Chemical physics, Dipole, Ion and Raman spectroscopy. His Analytical chemistry research is multidisciplinary, incorporating elements of Electrolyte, Electrode, Electrochemical cell and Spectral line. He has included themes like Ionic conductivity, Ionic bonding, Diffraction, Conductivity and Dopant in his Chemical physics study.

Paul A. Madden interconnects Condensed matter physics, Atomic physics and Multipole expansion in the investigation of issues within Dipole. His studies deal with areas such as Neutron diffraction, Molecular dynamics, Inorganic chemistry, Ab initio and Electronic structure as well as Ion. His Raman spectroscopy research integrates issues from Rayleigh scattering, Molecular physics, Relaxation, Dielectric and Anisotropy.

His most cited work include:

  • Hydration and mobility of ions in solution (720 citations)
  • Spectroscopic and transport properties of water (235 citations)
  • Electrochemical interface between an ionic liquid and a model metallic electrode. (199 citations)

What are the main themes of his work throughout his whole career to date?

His scientific interests lie mostly in Ion, Chemical physics, Ionic bonding, Molecular dynamics and Dipole. The concepts of his Ion study are interwoven with issues in Polarization, Ionic conductivity, Ab initio, Electronic structure and Analytical chemistry. The study incorporates disciplines such as Inorganic chemistry, Crystallography, Crystal structure, Conductivity and Computational chemistry in addition to Chemical physics.

As part of the same scientific family, Paul A. Madden usually focuses on Ionic bonding, concentrating on Polarizability and intersecting with Raman spectroscopy. His Molecular dynamics research incorporates elements of Surface tension, Molten salt, Thermodynamics and Vibrational energy relaxation. His work carried out in the field of Dipole brings together such families of science as Quadrupole, Atomic physics, Ab initio quantum chemistry methods, Molecular physics and Dielectric.

He most often published in these fields:

  • Ion (28.68%)
  • Chemical physics (24.81%)
  • Ionic bonding (24.81%)

What were the highlights of his more recent work (between 2010-2020)?

  • Molecular dynamics (24.03%)
  • Polarizability (22.48%)
  • Ion (28.68%)

In recent papers he was focusing on the following fields of study:

Molecular dynamics, Polarizability, Ion, Chemical physics and Thermodynamics are his primary areas of study. The Molecular dynamics study combines topics in areas such as Physical chemistry and Analytical chemistry. His Polarizability research incorporates themes from Ionic bonding, Dipole, Thermal conductivity and Volume.

His studies in Ion integrate themes in fields like Neutron diffraction, Ab initio quantum chemistry methods, Inorganic chemistry, Alkali metal and Vacancy defect. His Chemical physics study combines topics from a wide range of disciplines, such as Ionic conductivity, Ab initio, Electronic structure, Dopant and Conductivity. Paul A. Madden works mostly in the field of Ab initio, limiting it down to topics relating to Raman spectroscopy and, in certain cases, Spectral line.

Between 2010 and 2020, his most popular works were:

  • Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations (107 citations)
  • Oxygen Vacancy Ordering and the Conductivity Maximum in Y2O3-Doped CeO2 (79 citations)
  • Structural Disorder in Doped Zirconias, Part II: Vacancy Ordering Effects and the Conductivity Maximum. (63 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Electron
  • Ion

Paul A. Madden mainly focuses on Ion, Ab initio quantum chemistry methods, Molecular dynamics, Vacancy defect and Conductivity. His Ion study integrates concerns from other disciplines, such as Dipole, Wannier function, Polarizability, Atomic physics and Density functional theory. His Ab initio quantum chemistry methods research is multidisciplinary, incorporating perspectives in Polyatomic ion, Neutron diffraction and Proton.

His Molecular dynamics study incorporates themes from Surface tension, Thermodynamics, Graphite, Electrode and Analytical chemistry. His research integrates issues of Chemical physics, Doping, Dopant, Inorganic chemistry and Ionic conductivity in his study of Vacancy defect. His studies in Conductivity integrate themes in fields like Thermal conduction, Electronic structure and Ab initio.

Best Publications

  • Hydration and mobility of ions in solution

    R. W. Impey;P. A. Madden;I. R. McDonald

  • On the molecular origin of supercapacitance in nanoporous carbon electrodes

    Céline Merlet;Céline Merlet;Benjamin Rotenberg;Benjamin Rotenberg;Paul Anthony Madden;Pierre-Louis Taberna;Pierre-Louis Taberna

  • Molecular dynamics without effective potentials via the Car-Parrinello approach

    Dahlia K. Remler;Paul A. Madden

  • Electrochemical interface between an ionic liquid and a model metallic electrode.

    Stewart K. Reed;Oliver J. Lanning;Paul A. Madden

  • A Consistent Molecular Treatment of Dielectric Phenomena

    Paul Madden;Daniel Kivelson

  • ‘Covalent’ effects in ‘ionic’ systems

    Paul A. Madden;Mark Wilson

  • Spectroscopic and transport properties of water

    R.W. Impey;P.A. Madden;I.R. McDonald

  • Hydration of metal surfaces can be dynamically heterogeneous and hydrophobic

    David T. Limmer;Adam P. Willard;Paul Madden;David Chandler

  • Simulating Supercapacitors: Can We Model Electrodes As Constant Charge Surfaces?

    Céline Merlet;Céline Merlet;Clarisse Péan;Clarisse Péan;Clarisse Péan;Benjamin Rotenberg;Benjamin Rotenberg;Paul A. Madden

  • A computer simulation study of the dielectric properties of a model of methyl cyanide

    Duncan M.F. Edwards;Paul A. Madden;Ian R. McDonald

  • On the Dynamics of Charging in Nanoporous Carbon-Based Supercapacitors

    Clarisse Péan;Céline Merlet;Céline Merlet;Benjamin Rotenberg;Benjamin Rotenberg;Paul Anthony Madden

  • Nonlinear counterion screening in colloidal suspensions

    Hartmut Löwen;Jean‐Pierre Hansen;Paul A. Madden

  • Orbital-free kinetic-energy functionals for first-principles molecular dynamics.

    Enrico Smargiassi;Paul A. Madden

  • Polarization Effects, Network Dynamics, and the Infrared Spectrum of Amorphous SiO2.

    Mark Wilson;Paul A. Madden;Mahin Hemmati;C. Austen Angell

  • Time correlation functions for a model of liquid carbon disulphide

    D.J. Tildesley;P.A. Madden

  • Statistical model for the structure and gelation of smectite clay suspensions

    Marjolein Dijkstra;Jean-Pierre Hansen;Paul A. Madden

  • Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations

    Céline Merlet;Mathieu Salanne;Benjamin Rotenberg;Paul A. Madden

  • Quadrupole Polarization in Simulations of Ionic Systems: Application to AgCl

    Mark Wilson† and;Paul A. Madden;Benedito J. Costa-Cabral

  • Charge fluctuations in nanoscale capacitors.

    David T. Limmer;Céline Merlet;Mathieu Salanne;David Chandler

  • Ab initio description of counterion screening in colloidal suspensions.

    Hartmut Löwen;Paul A. Madden;Jean-Pierre Hansen

  • Ewald summation of electrostatic multipole interactions up to the quadrupolar level

    Andrés Aguado;Paul A. Madden

  • A first-principles description of liquid BeF2 and its mixtures with LiF: 2. Network formation in LiF-BeF2.

    Mathieu Salanne;Christian Simon;Pierre Turq;Robert J. Heaton

  • Heat-transport properties of molten fluorides: Determination from first-principles

    Mathieu Salanne;Christian Simon;Pierre Turq;Paul A. Madden

  • Voids, Layers, and the First Sharp Diffraction Peak in ZnCl 2

    Mark Wilson;Paul A. Madden

  • Calculation of activities of ions in molten salts with potential application to the pyroprocessing of nuclear waste.

    Mathieu Salanne;Christian Simon;Pierre Turq;Paul A. Madden

  • Theory of vibrational linewidths

    P.A. Madden;R.M. Lynden-Bell

  • Properties of liquid CS2 from the allowed light scattering spectra

    T.I. Cox;M.R. Battaglia;P.A. Madden

  • ``Prepeaks'' and ``first sharp diffraction peaks'' in computer simulations of strong and fragile ionic liquids

    Wilson M;Madden Pa

  • A comparative study of the interaction induced spectra of liquid CS2: I. Intensities

    P.A. Madden;T.I. Cox

  • Electrochemical charge transfer at a metallic electrode: a simulation study.

    Stewart K. Reed;Paul A. Madden;Aristides Papadopoulos

  • Conductivity-viscosity-structure: unpicking the relationship in an ionic liquid.

    Mathieu Salanne;Christian Simon;Pierre Turq;Paul A. Madden

  • Calculations of the thermal conductivities of ionic materials by simulation with polarizable interaction potentials

    Norikazu Ohtori;Mathieu Salanne;Paul A. Madden

  • Evaluation of the many-body contributions to the interionic interactions in MgO

    Adrian J. Rowley;Patrick J̈emmer;Mark Wilson;Paul A. Madden

  • The interaction induced spectra of liquid CS2

    P.A. Madden;D.J. Tildesley

  • Molecular motion in a model of liquid acetonitrile

    H.J. Böhm;R.M. Lynden-Bell;P.A. Madden;I.R. McDonald

  • A computer simulation study of the dielectric properties of a model of methyl cyanide: II. The interference of permanent and induced dipoles

    Duncan M.F. Edwards;Paul A. Madden

Frequent Co-Authors

Mathieu Salanne
Mathieu Salanne Sorbonne University
Mark Wilson
Mark Wilson University of Oxford
Patrick W. Fowler
Patrick W. Fowler University of Sheffield
John T. S. Irvine
John T. S. Irvine University of St Andrews
Dihua Wang
Dihua Wang Wuhan University
George Chen
George Chen University of Southampton
Hongmin Zhu
Hongmin Zhu Tohoku University
Pierre Turq
Pierre Turq Sorbonne University
Shuqiang Jiao
Shuqiang Jiao University of Science and Technology Beijing
Toru H. Okabe
Toru H. Okabe University of Tokyo

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