| PLUMED: A portable plugin for free-energy calculations with molecular dynamics M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, ... Computer Physics Communications 180 (10), 1961-1972, 2009 | 1867 | 2009 |
| Promoting transparency and reproducibility in enhanced molecular simulations M Bonomi, G Bussi, C Camilloni, GA Tribello, P Banáš, A Barducci, ... Nature methods 16 (8), 670-673, 2019 | 812 | 2019 |
| Efficient reconstruction of complex free energy landscapes by multiple walkers metadynamics P Raiteri, A Laio, FL Gervasio, C Micheletti, M Parrinello The Journal of Physical Chemistry B 110 (8), 3533-3539, 2006 | 668 | 2006 |
| Stable prenucleation mineral clusters are liquid-like ionic polymers R Demichelis, P Raiteri, JD Gale, D Quigley, D Gebauer Nature communications 2, 590, 2011 | 596 | 2011 |
| Microscopic Evidence for Liquid-Liquid Separation in Supersaturated CaCO3 Solutions AF Wallace, LO Hedges, A Fernandez-Martinez, P Raiteri, JD Gale, ... Science 341 (6148), 885-889, 2013 | 555 | 2013 |
| Water is the key to nonclassical nucleation of amorphous calcium carbonate P Raiteri, JD Gale Journal of the American Chemical Society 132 (49), 17623-17634, 2010 | 445 | 2010 |
| Derivation of an Accurate Force-Field for Simulating the Growth of Calcium Carbonate from Aqueous Solution: A New Model for the Calcite− Water Interface P Raiteri, JD Gale, D Quigley, PM Rodger The Journal of Physical Chemistry C 114 (13), 5997-6010, 2010 | 281 | 2010 |
| Anisotropy of Earth's D ″layer and stacking faults in the MgSiO3 post-perovskite phase AR Oganov, R Martoňák, A Laio, P Raiteri, M Parrinello Nature 438 (7071), 1142-1144, 2005 | 280 | 2005 |
| Dehydroxylation of kaolinite to metakaolin—a molecular dynamics study S Sperinck, P Raiteri, N Marks, K Wright Journal of Materials Chemistry 21 (7), 2118-2125, 2011 | 239 | 2011 |
| Thermodynamically Consistent Force Field for Molecular Dynamics Simulations of Alkaline-Earth Carbonates and Their Aqueous Speciation P Raiteri, R Demichelis, JD Gale The Journal of Physical Chemistry C 119 (43), 24447-24458, 2015 | 198 | 2015 |
| Is the Calcite–Water Interface Understood? Direct Comparisons of Molecular Dynamics Simulations with Specular X-ray Reflectivity Data P Fenter, S Kerisit, P Raiteri, JD Gale The Journal of Physical Chemistry C 117 (10), 5028-5042, 2013 | 185 | 2013 |
| Exploring polymorphism: the case of benzene P Raiteri, R Martoňák, M Parrinello Angewandte Chemie International Edition 44 (24), 3769-3773, 2005 | 181 | 2005 |
| Simulation of structural phase transitions by metadynamics R Martoňák, A Laio, M Bernasconi, C Ceriani, P Raiteri, F Zipoli, ... Zeitschrift für Kristallographie-Crystalline Materials 220 (5/6), 489-498, 2005 | 173 | 2005 |
| Atomic-scale pathway of the pyramid-to-dome transition during Ge growth on Si (001) F Montalenti, P Raiteri, DB Migas, H Von Känel, A Rastelli, C Manzano, ... Physical review letters 93 (21), 216102, 2004 | 150 | 2004 |
| On classical and non-classical views on nucleation D Gebauer, P Raiteri, JD Gale, H Cölfen American Journal of Science 318 (9), 969-988, 2018 | 148 | 2018 |
| Accurate rates of the complex mechanisms for growth and dissolution of minerals using a combination of rare-event theories AG Stack, P Raiteri, JD Gale Journal of the American Chemical Society 134 (1), 11-14, 2012 | 142 | 2012 |
| Critical role of the surface reconstruction in the thermodynamic stability of {105} Ge pyramids on Si (001) P Raiteri, DB Migas, L Miglio, A Rastelli, H Von Känel Physical review letters 88 (25), 256103, 2002 | 139 | 2002 |
| A reactive force field for aqueous-calcium carbonate systems JD Gale, P Raiteri, ACT van Duin Physical Chemistry Chemical Physics 13 (37), 16666-16679, 2011 | 118 | 2011 |
| The multiple structures of vaterite R Demichelis, P Raiteri, JD Gale, R Dovesi Crystal Growth & Design 13 (6), 2247-2251, 2013 | 110 | 2013 |
| A Supramolecular Ice Growth Inhibitor R Drori, C Li, C Hu, P Raiteri, AL Rohl, MD Ward, B Kahr Journal of the American Chemical Society 138 (40), 13396-13401, 2016 | 101 | 2016 |
Julian D GaleCurtin UniversityAdresse e-mail validée de curtin.edu.au