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

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

Molecular dynamics simulations of the liquid-vapor interface of a molten salt. III. Size asymmetry effects and binary mixtures by Aguado, A, Madden, P

Ewald summation of electrostatic multipole interactions up to the quadrupolar level by Aguado, A, Madden, P

Oxide potentials from ab initio molecular dynamics: An assessment of their transferability by Aguado, A, Madden, P

A transferable interatomic potential for MgO from ab initio molecular dynamics by Aguado, A, Bernasconi, L, Madden, P

Molecular dynamics simulations of the liquid-vapor interface of a molten salt. II. Finite size effects and comparison to experiment by Aguado, A, Scott, W, Madden, P

Molecular dynamics simulations of the liquid-vapor interface of a molten salt. I. Influence of the interaction potential by Aguado, A, Wilson, M, Madden, P

Interionic potentials from ab initio molecular dynamics: The alkaline earth oxides CaO, SrO, and BaO by Aguado, A, Bernasconi, L, Madden, P

From first-principles to material properties by Madden, P, Heaton, R, Aguado, A, Jahn, S

Multipoles and interaction potentials in ionic materials from planewave-DFT calculations. by Aguado, A, Bernasconi, L, Jahn, S, Madden, P