All abstracts by Raffaella Demichelis in conference series: Goldschmidt

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

(2022) Biomineralization at the Atomic Scale. 2022 Houtermans Award
Demichelis R

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

(2021) Magnesium Impurities Decide the Structure of Calcium Carbonate Hemihydrate
Aufort J & Demichelis R

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

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

(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) Modelling Olivine Surface Properties: Assessment of Methods and Tools
Demichelis R, Bruno M, Massaro FR, Prencipe M, De La Pierre M & Nestola F

(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

(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) 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