From first-principles to the properties of ionic materials, via transferable interaction potentials by Madden, P

PHYS 323-From first-principles to the properties of ionic materials, via transferable interaction potentials by Madden, P

Atomic dynamics of alumina melt: A molecular dynamics simulation study by Jahn, S, Madden, P

Modeling Earth materials from crustal to lower mantle conditions: A transferable set of interaction potentials for the CMAS system by Jahn, S, Madden, P

Structure and dynamics in liquid alumina: Simulations with an ab initio interaction potential by Jahn, S, Madden, P

Structural and transport properties in the Ag3SI system: a molecular dynamics study of alpha, beta and molten phases by Matsunaga, S, Madden, P

Raman spectra of ionic liquids: a simulation study of AlF3 and its mixtures with NaF. by Akdeniz, Z, Madden, P

New insights into the melting behavior of MgO from molecular dynamics simulations: the importance of premelting effects. by Aguado, A, Madden, P

Relationship of crystal structures to interionic interactions in mono-, di-, tri- and ter-valent metal oxides by Wilson, M, Madden, P

Ion mobilities and microscopic dynamics in liquid (Li,K)Cl. by Morgan, B, Madden, P

Fully transferable interatomic potentials for large-scale computer simulations of simple metal oxides: Application to MgO by Aguado, A, Madden, P

SHORT-RANGE AND INTERMEDIATE-RANGE ORDER IN MCL2 MELTS - THE IMPORTANCE OF ANIONIC POLARIZATION by Wilson, M, Madden, P

Structure and dynamics at the aluminum solid-liquid interface: An ab initio simulation by Jesson, B, Madden, P

Lithium intercalation into TiO2(B): A comparison of LDA, GGA, and GGA+U density functional calculations by Morgan, B, Madden, P

'Covalent' effects in 'ionic' liquids by Madden, P, Wilson, M

A generic ionic potential for the alkaline-earth oxides and the anomalous crystal structure of ZnO by Wilson, M, Madden, P

PREPEAKS AND 1ST SHARP DIFFRACTION PEAKS IN COMPUTER-SIMULATIONS OF STRONG AND FRAGILE IONIC LIQUIDS by Wilson, M, Madden, P

Are dipolar liquids ferroelectric? Simulation studies. by Pounds, M, Madden, P

Voids, layers, and the first sharp diffraction peak in ZnCl2 by Wilson, M, Madden, P

Pressure-driven sphalerite to rock salt transition in ionic nanocrystals: A simulation study by Morgan, B, Madden, P