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Physical Chemistry Chemical Physics : PCCP|August 19, 2011
A reactive force field for aqueous-calcium carbonate systemsJulian D Gale, Paolo Raiteri, Adri C T van DuinJournal of the American Chemical Society|November 25, 2010
Water is the key to nonclassical nucleation of amorphous calcium carbonatePaolo Raiteri, Julian D GaleJournal of Physics. Condensed Matter : an Institute of Physics Journal|August 5, 2011
Reactive force field simulation of proton diffusion in BaZrO3 using an empirical valence bond approachPaolo Raiteri, Julian D Gale, Giovanni BussiThe Journal of Physical Chemistry. B|April 8, 2020
Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular DynamicsPaolo Raiteri, Alicia Schuitemaker, Julian D GaleJournal of Chemical Theory and Computation|September 8, 2022
Obtaining Consistent Free Energies for Ion Binding at Surfaces from Solution: Pathways versus Alchemy for Determining Kink Site StabilityAlessandro Silvestri, Paolo Raiteri, Julian D GalePhysical Chemistry Chemical Physics : PCCP|May 17, 2023
Computational workflows for perovskites: case study for lanthanide manganitesPeter Kraus, Paolo Raiteri, Julian D GaleMethods in Enzymology|November 6, 2013
Development of accurate force fields for the simulation of biomineralizationPaolo Raiteri, Raffaella Demichelis, Julian D GaleThe Journal of Chemical Physics|November 3, 2020
Molecular dynamics simulations of liquid-liquid interfaces in an electric field: The water-1,2-dichloroethane interfacePaolo Raiteri, Peter Kraus, Julian D GaleProceedings of the National Academy of Sciences of the United States of America|October 6, 2025
Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid statePablo M Piaggi, Julian D Gale, Paolo RaiteriJournal of the American Chemical Society|July 5, 2011
Accurate rates of the complex mechanisms for growth and dissolution of minerals using a combination of rare-event theoriesAndrew G Stack, Paolo Raiteri, Julian D GalePageof 34