Professor Paolo Raiteri, PhD
Professor Paolo Raiteri, PhD
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Zitiert von
Zitiert von
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
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
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
Stable prenucleation mineral clusters are liquid-like ionic polymers
R Demichelis, P Raiteri, JD Gale, D Quigley, D Gebauer
Nature communications 2, 590, 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
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
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
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
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
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
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
Exploring polymorphism: the case of benzene
P Raiteri, R Martoňák, M Parrinello
Angewandte Chemie International Edition 44 (24), 3769-3773, 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
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
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
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
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
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
The multiple structures of vaterite
R Demichelis, P Raiteri, JD Gale, R Dovesi
Crystal Growth & Design 13 (6), 2247-2251, 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
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