All abstracts by Paolo Raiteri in conference series: Goldschmidt

(2023) Computational Insights into Mg²⁺ Dehydration in the Presence of Carbonate
Aufort J, Raiteri P & Gale JD

(2023) Simulation of Vaterite-Aspartic Acid Interaction: Model Development and Results
Schuitemaker A, Raiteri P, Gale JD & Demichelis R

(2023) Connecting Simulations and Experiments; A Tale of Free Energies and Standard States
Silvestri A, Armstrong BI, Gale JD & Raiteri P

(2021) Computational Investigation of the Adsorption of Aspartic Acid on CaCO₃ Vaterite
Schuitemaker A, Koziara KB, Raiteri P, Gale JD & Demichelis R

(2020) Experiments or Theory? Aqueous Fluids in the Deep Earth
Brugger J, Etschmann B, Gonzalez C, Guan Q, Mei Y & Raiteri P

(2020) The Free Energy Landscape of Growing Calcite: Adsorption of Ions at Kink Sites
Silvestri A, De La Pierre M, Anderson MW, Raiteri P & Gale JD

(2020) Stabilities of Calcium Carbonate and Calcium Phosphate Prenucleation Clusters: Insights from Free Energy Perturbation Calculations
Aufort J, Raiteri P, Garcia NA, Demichelis R & Gale JD

(2018) Simulation of Mineral-Fluid Interfaces and their Influence on Surface Binding
Garcia N, De La Pierre M, Demichelis R, Raiteri P, Stack A & Gale J

(2018) An Investigation of Calcium Phosphate Prenucleation Clusters
Garcia N, Demichellis R, Raiteri P & Gale J

(2018) Nanoscale Processes for Calcium Carbonate Formation: Insights from Computer Simulation
De La Pierre M, Reischl B, Schuitemaker A, Koziara K, Demichelis R, Raiteri P, Rohl A, Stack A, Gebauer D & Gale J

(2018) Adsorption of Organic Molecules on Calcite in Water
Schuitemaker A, Koziara K, De La Pierre M, Demichelis R, Raiteri P & Gale JD

(2017) Isotope Effects in Low-Molecular-Weight Aromatic Compounds from Petroleum Hydrocarbons Originating from Fluvial-Deltaic Source Rocks
Cesar J, Eiler J, Dallas B, Chimiak E, Raiteri P & Grice K

(2017) Molecular Simulations of CO₂ in Aqueous Solutions at Calcite Surfaces
Silvestri A, Budi A, Ataman E, Andersson MP, Stipp SLS, Gale JD & Raiteri P

(2017) Modelling Calcium Phosphate Pre-Nucleation Events
Demichelis R, Garcia N, Raiteri P, Gale JD, Innocenti Malini R, Freeman CL & Harding JH

(2017) Calcium Carbonate Growth and Dissolution: Building an Atomistic Picture via Computer Simulation
De La Pierre M, Raiteri P, Reischl B, Stack A & Gale J

(2016) Probing Reactivity at the Calcite-Water Interface Using Computer Simulation
De La Pierre M, Raiteri P, Schuitemaker A, Demichelis R & Gale J

(2016) Probing the Role of Water Dynamics in Calcium Carbonate Crystal Growth Using Classical Molecular Dynamics
De La Pierre M, Raiteri P & Gale JD

(2016) Computational Insight on the Existence of CaCO₃ Prenucleation Clusters
Raiteri P, Schuitemaker A, Demichelis R & Gale J

(2015) Early and Late Stages of CaCO₃ Growth from Aqueous Solution
Raiteri P, De La Pierre M, Demichelis R & Gale J

(2015) Exploring the Microscopic Structure of Minerals Through ab Initio Vibrational Spectroscopy
De La Pierre M, Demichelis R, Raiteri P, D'Arco P, Carteret C, Dovesi R & Gale J

(2015) Computational Investigation of the Crystallization of Calcium Oxalate
Zhao W, Demichelis R, Raiteri P, Gale JD, Jones F & Sharma N

(2015) The Initial Steps in the Precipitation of Calcium Phosphate Minerals
Innocenti Malini R, Harding J, Freeman C, Hall S, Demichelis R, Raiteri P, Sommerdijk N & Gale J

(2014) Exploring the Generality of Stable Pre-Nucleation Species for Alkaline Earth Carbonates
Raiteri P, Demichelis R, Gale J, Kellermeier M & Gebauer D

(2014) Vibrational Spectroscopy of Biominerals: Combining Computer Models and Experiments to Understand Structural Features
Demichelis R, De La Pierre M, Raiteri P, Gale JD, Wehrmeister U & Jacob DE

(2013) Computer Simulations of Carbonates in Water
Raiteri P, Demichelis R & Gale J

(2013) The Multiple Structures of Vaterite
Demichelis R, Raiteri P & Gale JD

(2013) Liquid-Liquid Separation at the Onset of CaCO₃ Formation
Wallace A, Hedges L, Fernandez-Martinez A, Raiteri P, Whitelam S, Waychunas G, Gale J, Banfield J & De Yoreo J

(2012) Derivation of an Accurate Force-Field for the Simulation of Carbonates
Raiteri P, Demichelis R & Gale J

(2012) Simulation of Non-Classical Crystallization of Carbonate Minerals
Gale J, Demichelis R, Raiteri P, Quigley D & Gebauer D

(2012) Calcite Growth from the Molecular Scale
Stack A, Bracco J, Raiteri P, Gale J & Grantham M

(2012) Computing the Thermodynamics and Reactivity of Carbonates from Solid State to Speciation
Gale J, Demichelis R, Raiteri P, Quigley D, Gebauer D, Stack A, Dovesi R, Vinograd V & Winkler B

(2011) Nucleation of Amorphous Calcium Carbonate: A Combined Theoretical and Experimental Perspective
Demichelis R, Raiteri P, Gale J, Gebauer D & Quigley D

(2011) Structure and Relative Stability of Hydrous and Anhydrous Ca-Mg Carbonates from First-Principle Calculations
Demichelis R, Raiteri P & Gale JD

(2010) Towards Accurate Modeling of the Growth and Nucleation of Carbonates
Raiteri P, Gale J, Quigley D & Rodger M

(2010) Atomistic Simulation of Metal-Carbonate Cluster Formation
Wallace A, Raiteri P, Gale J, DeYoreo J & Banfield J

(2009) Understanding the Fundamental Mechanisms of CaCO₃ in Water
Raiteri P, Spagnoli D & Gale J