Professor Paolo Raiteri, PhD
Curtin University
H-index: 43
Oceania-Australia
Top articles of Professor Paolo Raiteri, PhD
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Redefined ion association constants have consequences for calcium phosphate nucleation and biomineralization | Nature Communications | David P McDonogh Julian D Gale Paolo Raiteri Denis Gebauer | 2024/4/18 |
New model for aspartic acid species in aqueous calcium carbonate growth environments: challenges and perspectives | Alicia Schuitemaker Katarzyna Koziara Paolo Raiteri Julian Gale Raffaella Demichelis | 2024 | |
Computational workflows for novel materials: Case study for lanthanide manganese perovskites | Peter Kraus Paolo Raiteri Julian D Gale | 2023/1/4 | |
Atomistic simulations of calcium aluminosilicate interfaced with liquid water | The Journal of Chemical Physics | F Vuković NA Garcia S Perera M Turchi MP Andersson | 2023/9/7 |
Computational workflows for perovskites: case study for lanthanide manganites | Physical Chemistry Chemical Physics | Peter Kraus Paolo Raiteri Julian D Gale | 2023 |
Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing units | Philosophical Transactions of the Royal Society A | Blake Armstrong Alessandro Silvestri Raffaella Demichelis Paolo Raiteri Julian D Gale | 2023/7/10 |
Determining the Complete Stability of Calcite Kink Sites: Real vs Ideal | The Journal of Physical Chemistry C | Blake I Armstrong Alessandro Silvestri Marco De La Pierre Paolo Raiteri Julian D Gale | 2023/7/5 |
Crosslinking Rapidly Cured Epoxy Resin Thermosets: Experimental and Computational Modeling and Simulation Study | Polymers | Ahmed Al-Qatatsheh Jaworski C Capricho Paolo Raiteri Saulius Juodkazis Nisa Salim | 2023/3/6 |
Revisiting the Conformational Isomerism of Dihaloethanes: A Hybrid Computational and Experimental Laboratory for the Undergraduate Curriculum | ACS Physical Chemistry Au | Blake I Armstrong Meg Willans Emma L Pearson Thomas Becker Mark J Hackett | 2023/1/12 |
Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite | Crystal Growth & Design | Julie Aufort Alicia Schuitemaker Rebecca Green Raffaella Demichelis Paolo Raiteri | 2022/1/18 |
Molecular Dynamics of Solids at Constant Pressure and Stress Using Anisotropic Stochastic Cell Rescaling | Applied Sciences | Vittorio Del Tatto Paolo Raiteri Mattia Bernetti Giovanni Bussi | 2022/1 |
Obtaining Consistent Free Energies for Ion Binding at Surfaces from Solution: Pathways versus Alchemy for Determining Kink Site Stability | Journal of Chemical Theory and Computation | Alessandro Silvestri Paolo Raiteri Julian D Gale | 2022/9/8 |
Calculations of the Evolution of the Ca L23 Fine Structure in Amorphous Calcium Carbonate | The Journal of Physical Chemistry B | Keren Kahil Paolo Raiteri Julian D Gale Peter Rez | 2022/6/28 |
Computational Insights into Mg2+ Dehydration in the Presence of Carbonate | Acs Earth and Space Chemistry | Julie Aufort Paolo Raiteri Julian D Gale | 2022/2/16 |
Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near‐Neutral pH | Angewandte Chemie International Edition | Yu‐Chieh Huang Ashit Rao Shing‐Jong Huang Chun‐Yu Chang Markus Drechsler | 2021/7/19 |
Aufdeckung der Rolle von Hydrogencarbonat‑Ionen bei der Bildung von Calciumcarbonat im nahezu neutralen pH‑Bereich | Angewandte Chemie | Yu-Chieh Huang Ashit Rao Shing-Jong Huang Chun-Yu Chang Markus Drechsler | 2021/7 |
The atomic structure and dynamics at the CaCO3 vaterite–water interface: A classical molecular dynamics study | The Journal of Chemical Physics | Alicia Schuitemaker Paolo Raiteri Raffaella Demichelis | 2021/4/28 |
A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination | Journal of Chemical Theory and Computation | Julian D Gale Luc M LeBlanc Peter R Spackman Alessandro Silvestri Paolo Raiteri | 2021/11/4 |
Simulating the binding of key organic functional groups to aqueous calcium carbonate species | Physical Chemistry Chemical Physics | Alicia Schuitemaker Julie Aufort Katarzyna B Koziara Raffaella Demichelis Paolo Raiteri | 2021 |
Does the Structural Water within Gypsum Remain Crystalline at the Aqueous Interface? | The Journal of Physical Chemistry C | Hagen Söngen Alessandro Silvestri Tasnim Roshni Stefanie Klassen Ralf Bechstein | 2021/9/27 |
Co-Authors
