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Raffaella Demichelis

Showing results (1-10 of 20) with videos related to

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Nanoscale|July 21, 2025
Modelling silicate mineral interfaces for carbon dioxide sequestration: structure and stability of orthoenstatite surfacesJulie Aufort, Izaac Mitchell, Raffaella Demichelis
The Journal of Chemical Physics|May 4, 2021
The atomic structure and dynamics at the CaCO<sub>3</sub> vaterite-water interface: A classical molecular dynamics studyAlicia Schuitemaker, Paolo Raiteri, Raffaella Demichelis
Methods in Enzymology|November 6, 2013
Development of accurate force fields for the simulation of biomineralizationPaolo Raiteri, Raffaella Demichelis, Julian D Gale
Physical Chemistry Chemical Physics : PCCP|April 14, 2015
Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: the case of α-Al2O3Alessandro Erba, Jefferson Maul, Raffaella Demichelis, et al.
The Journal of Chemical Physics|December 2, 2009
Single-layered chrysotile nanotubes: A quantum mechanical ab initio simulationPhilippe D'Arco, Yves Noel, Raffaella Demichelis, et al.
Faraday Discussions|May 30, 2025
Atomistic insight into the interaction of aspartic acid species with calcium carbonate: model developmentRaffaella Demichelis, Blake I Armstrong, Paolo Raiteri, et al.
Nature Communications|December 22, 2011
Stable prenucleation mineral clusters are liquid-like ionic polymersRaffaella Demichelis, Paolo Raiteri, Julian D Gale, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|May 21, 2023
Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing unitsBlake Armstrong, Alessandro Silvestri, Raffaella Demichelis, et al.
Advanced Materials (Deerfield Beach, Fla.)|April 23, 2022
Untangling the Mechanisms of Lattice Distortions in Biogenic Crystals across ScalesVanessa Schoeppler, Phil K Cook, Carsten Detlefs, et al.
Physical Chemistry Chemical Physics : PCCP|January 23, 2024
New model for aspartic acid species in aqueous calcium carbonate growth environments: challenges and perspectivesAlicia Schuitemaker, Katarzyna B Koziara, Paolo Raiteri, et al.
Pageof 2

Showing results (1-10 of 20) with videos related to

Sort By:
Pageof 2
Nanoscale|July 21, 2025
Modelling silicate mineral interfaces for carbon dioxide sequestration: structure and stability of orthoenstatite surfacesJulie Aufort, Izaac Mitchell, Raffaella Demichelis
The Journal of Chemical Physics|May 4, 2021
The atomic structure and dynamics at the CaCO<sub>3</sub> vaterite-water interface: A classical molecular dynamics studyAlicia Schuitemaker, Paolo Raiteri, Raffaella Demichelis
Methods in Enzymology|November 6, 2013
Development of accurate force fields for the simulation of biomineralizationPaolo Raiteri, Raffaella Demichelis, Julian D Gale
Physical Chemistry Chemical Physics : PCCP|April 14, 2015
Assessing thermochemical properties of materials through ab initio quantum-mechanical methods: the case of α-Al2O3Alessandro Erba, Jefferson Maul, Raffaella Demichelis, et al.
The Journal of Chemical Physics|December 2, 2009
Single-layered chrysotile nanotubes: A quantum mechanical ab initio simulationPhilippe D'Arco, Yves Noel, Raffaella Demichelis, et al.
Faraday Discussions|May 30, 2025
Atomistic insight into the interaction of aspartic acid species with calcium carbonate: model developmentRaffaella Demichelis, Blake I Armstrong, Paolo Raiteri, et al.
Nature Communications|December 22, 2011
Stable prenucleation mineral clusters are liquid-like ionic polymersRaffaella Demichelis, Paolo Raiteri, Julian D Gale, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences|May 21, 2023
Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing unitsBlake Armstrong, Alessandro Silvestri, Raffaella Demichelis, et al.
Advanced Materials (Deerfield Beach, Fla.)|April 23, 2022
Untangling the Mechanisms of Lattice Distortions in Biogenic Crystals across ScalesVanessa Schoeppler, Phil K Cook, Carsten Detlefs, et al.
Physical Chemistry Chemical Physics : PCCP|January 23, 2024
New model for aspartic acid species in aqueous calcium carbonate growth environments: challenges and perspectivesAlicia Schuitemaker, Katarzyna B Koziara, Paolo Raiteri, et al.
Pageof 2