Paolo Raiteri

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Professor

Curtin University

Australia

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About

Paolo Raiteri is a Professor at Curtin University, Australia. His research encompasses a variety of areas, including thermodynamics and molecular dynamics, with a recent focus on the interaction of biological molecules with mineral surfaces. He has contributed to advancing models of calcium carbonate and has published extensively on photophysical properties of complex materials used in OLED device fabrication.

Recent Grants

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Imaging defects at atomic resolution via state-of-the-art atomic force microscopy and petascale simulations

Open Date: 2014-06-01

Close Date:

Grant: Close

Understanding mineral reactivity using computer simulations at realistic pH

Open Date: 2014-01-01

Close Date:

Grant: Close

Learning to predict polymorphism through simulation of nucleation and nanoparticle evolution

Open Date: 2009-01-01

Close Date:

Articles (17)

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2025

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2023

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2023

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2022

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2022

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2022

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2022

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2022

Collaborators (5)

Conor Hogan

Professor of Chemistry

La Trobe University

AUSTRALIA

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Tiffany Walsh

Professor

Deakin University

AUSTRALIA

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Julian Gale

John Curtin Distinguished Professor

Curtin University

AUSTRALIA

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Stefano Stagni

ITALY

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Martin Andersson

Technical University of Denmark

DENMARK

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Paolo Raiteri

Research Interests

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About

Recent Grants

Articles (17)

Pseudo-grand canonical molecular dynamics via volumetrically controlled osmotic pressure

Atomistic insight into the interaction of aspartic acid species with calcium carbonate: model development

Fine color-tuning of Ir(iii) tetrazolato complexes: synthesis, photophysical properties and OLED device fabrication

Elucidating the Mechanism of Efficient Eu(III) and Yb(III) Sensitisation from a Re(I) Tetrazolato Triangular Assembly

Redefined ion association constants have consequences for calcium phosphate nucleation and biomineralization

New model for aspartic acid species in aqueous calcium carbonate growth environments: challenges and perspectives

Thermodynamics of Magnesium Binding at Calcite Kink Sites and Implications for Growth inhibition

Atomistic simulations of calcium aluminosilicate interfaced with liquid water

Determining the Complete Stability of Calcite Kink Sites: Real vs Ideal

Revisiting the Conformational Isomerism of Dihaloethanes: A Hybrid Computational and Experimental Laboratory for the Undergraduate Curriculum

Crosslinking Rapidly Cured Epoxy Resin Thermosets: Experimental and Computational Modeling and Simulation Study

Computational workflows for perovskites: case study for lanthanide manganites

Obtaining Consistent Free Energies for Ion Binding at Surfaces from Solution: Pathways versus Alchemy for Determining Kink Site Stability

Calculations of the Evolution of the Ca L23 Fine Structure in Amorphous Calcium Carbonate

Computational Insights into Mg2+ Dehydration in the Presence of Carbonate

Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite

Molecular Dynamics of Solids at Constant Pressure and Stress Using Anisotropic Stochastic Cell Rescaling

Collaborators (5)

Conor Hogan

Tiffany Walsh

Julian Gale

Stefano Stagni

Martin Andersson

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