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Chemistry

D-Index
44
Citations
11054
World Ranking
16655
National Ranking
367

Overview

Paolo Raiteri is affiliated with Curtin University in Australia. Their research primarily spans the field of Materials Science, with a focus on several subfields including Biomaterials, Materials Chemistry, Atomic and Molecular Physics and Optics, Renewable Energy, Sustainability and the Environment, as well as Physical and Theoretical Chemistry.

The main topics of Paolo Raiteri's work include:

  • Calcium Carbonate Crystallization and Inhibition
  • Spectroscopy and Quantum Chemical Studies
  • Crystallization and Solubility Studies
  • Iron Oxide Chemistry and Applications
  • Clay Minerals and Soil Interactions
  • Minerals Flotation and Separation Techniques
  • Material Dynamics and Properties

Frequent coauthors in Raiteri's publications include:

  • Julian D. Gale
  • Blake Armstrong
  • Raffaella Demichelis
  • Alicia Schuitemaker
  • Alessandro Silvestri

The publications have appeared repeatedly in several venues, with notable recurring publication outlets being:

  • The Journal of Chemical Physics
  • Zenodo (CERN European Organization for Nuclear Research)
  • The Journal of Physical Chemistry C
  • Physical Chemistry Chemical Physics
  • Goldschmidt Abstracts

Selected recent papers by Paolo Raiteri include:

  • Ion Pairing and Multiple Ion Binding in Calcium Carbonate Solutions Based on a Polarizable AMOEBA Force Field and Ab Initio Molecular Dynamics (2020), published in The Journal of Physical Chemistry B
  • Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH (2021), published in Angewandte Chemie International Edition
  • Why Are Some Crystals Straight? (2020), published in The Journal of Physical Chemistry C
  • Calcite (104) Surface-Electrolyte Structure: A 3D Comparison of Surface X-ray Diffraction and Simulations (2020), published in The Journal of Physical Chemistry C
  • A Universal Force Field for Materials, Periodic GFN-FF: Implementation and Examination (2021), published in Journal of Chemical Theory and Computation

Paolo Raiteri's research contributions focus heavily on understanding crystallization processes and the properties of materials at the atomic and molecular level. Their work involves both experimental and computational methods, highlighting interfaces such as calcium carbonate formation and mineral surfaces.

Best Publications

  • PLUMED: a portable plugin for free-energy calculations with molecular dynamics

    Massimiliano Bonomi;Davide Branduardi;Giovanni Bussi;Carlo Camilloni

  • Promoting transparency and reproducibility in enhanced molecular simulations

    M. Bonomi;M. Bonomi;B. Giovanni;C. Camilloni;G.A. Tribello

  • Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics.

    Paolo Raiteri;Alessandro Laio;Francesco Luigi Gervasio;Cristian Micheletti

  • Stable prenucleation mineral clusters are liquid-like ionic polymers

    Raffaella Demichelis;Paolo Raiteri;Julian D. Gale;David Quigley

  • Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions

    Adam F. Wallace;Adam F. Wallace;Lester O. Hedges;Alejandro Fernandez-Martinez;Alejandro Fernandez-Martinez;Paolo Raiteri

  • Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate

    Paolo Raiteri;Julian D. Gale

  • Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution : a new model for the calcite-water interface

    Paolo Raiteri;Julian D. Gale;David Quigley;P. Mark Rodger

  • Anisotropy of Earth's D'' layer and stacking faults in the MgSiO3 post-perovskite phase.

    Artem R. Oganov;Roman Martonak;Alessandro Laio;Paolo Raiteri

  • Dehydroxylation of Kaolinite to Metakaolin - A Molecular Dynamics Study

    Shani Sperinck;Paolo Raiteri;Nigel Marks;Kathleen Wright

  • Is the Calcite–Water Interface Understood? Direct Comparisons of Molecular Dynamics Simulations with Specular X-ray Reflectivity Data

    Paul Fenter;Sebastien N. Kerisit;Paolo Raiteri;Julian D. Gale

  • Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation

    Paolo Raiteri;Raffaella Demichelis;Julian D. Gale

  • Exploring polymorphism: the case of benzene

    P. Raiteri;R. Martonàk;M. Parrinello

  • Simulation of structural phase transitions by metadynamics

    Roman Martoňák;Alessandro Laio;Marco Bernasconi;Chiara Ceriani

  • Accurate Rates of the Complex Mechanisms for Growth and Dissolution of Minerals Using a Combination of Rare-Event Theories

    Andrew G. Stack;Paolo Raiteri;Julian D. Gale

  • Atomic-scale pathway of the pyramid-to-dome transition during Ge growth on Si(001)

    F. Montalenti;P. Raiteri;D. B. Migas;H. von Känel

  • Critical Role of the Surface Reconstruction in the Thermodynamic Stability of { 105 } Ge Pyramids on Si(001)

    P. Raiteri;D. B. Migas;Leo Miglio;A. Rastelli

  • The multiple structures of vaterite

    Raffaella Demichelis;Paolo Raiteri;Julian D. Gale;Roberto Dovesi

  • A reactive force field for aqueous-calcium carbonate systems

    Julian D. Gale;Paolo Raiteri;Adri C. T. van Duin

  • A Supramolecular Ice Growth Inhibitor

    Ran Drori;Chao Li;Chunhua Hu;Paolo Raiteri

  • Entropy Drives Calcium Carbonate Ion Association.

    Matthias Kellermeier;Paolo Raiteri;John Kenneth Berg;Andreas Kempter

  • Synthesis, structural, and photophysical investigation of diimine triscarbonyl Re(I) tetrazolato complexes.

    Melissa V. Werrett;Daniel Chartrand;Julian D. Gale;Garry S. Hanan

  • Simulation of structural phase transitions by metadynamics

    R. Martonak;A. Laio;M. Bernasconi;C. Ceriani

Frequent Co-Authors

Julian D. Gale
Julian D. Gale Curtin University
Brian W. Skelton
Brian W. Skelton University of Western Australia
Andrew L. Rohl
Andrew L. Rohl Curtin University
Bart Kahr
Bart Kahr New York University
Armando Rastelli
Armando Rastelli Johannes Kepler University of Linz
H. von Känel
H. von Känel ETH Zurich
Jillian F. Banfield
Jillian F. Banfield University of California, Berkeley
Alessandro Laio
Alessandro Laio International School for Advanced Studies
Davide Donadio
Davide Donadio University of California, Davis

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