Raffaella Demichelis

8PUBLICATIONS
19CO-AUTHORS
Surface properties of condensed matterMetal organic frameworksReaction kinetics and dynamicsTransport properties and non-equilibrium processesChemical thermodynamics and energetics
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Publications (8)

|Oct 06, 2026
Cationic radius drives reconstruction of the {101̄4} surface of minerals from the calcite group.

|Jul 21, 2025
Modelling silicate mineral interfaces for carbon dioxide sequestration: structure and stability of orthoenstatite surfaces.

Julie Aufort, Izaac Mitchell, Raffaella Demichelis

|May 30, 2025
Atomistic insight into the interaction of aspartic acid species with calcium carbonate: model development.

Raffaella Demichelis, Blake I Armstrong, Paolo Raiteri

|Jan 23, 2024
New model for aspartic acid species in aqueous calcium carbonate growth environments: challenges and perspectives.

Alicia Schuitemaker, Katarzyna B Koziara, Paolo Raiteri

|Dec 06, 2021
Simulating the binding of key organic functional groups to aqueous calcium carbonate species.

Alicia Schuitemaker, Julie Aufort, Katarzyna B Koziara

|Dec 13, 2017
Simulation of Calcium Phosphate Species in Aqueous Solution: Force Field Derivation.

Raffaella Demichelis, Natalya A Garcia, Paolo Raiteri

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Frequent Collaborators

5 joint publications

Paolo Raiteri

3 joint publications

Julian D Gale

2 joint publications

Alicia Schuitemaker

2 joint publications

Julie Aufort