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Nanoscale
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July 21, 2025
Modelling silicate mineral interfaces for carbon dioxide sequestration: structure and stability of orthoenstatite surfaces
Julie 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 study
Alicia Schuitemaker, Paolo Raiteri, Raffaella Demichelis
Methods in Enzymology
|
November 6, 2013
Development of accurate force fields for the simulation of biomineralization
Paolo 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-Al2O3
Alessandro Erba, Jefferson Maul, Raffaella Demichelis, et al.
The Journal of Chemical Physics
|
December 2, 2009
Single-layered chrysotile nanotubes: A quantum mechanical ab initio simulation
Philippe 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 development
Raffaella Demichelis, Blake I Armstrong, Paolo Raiteri, et al.
Nature Communications
|
December 22, 2011
Stable prenucleation mineral clusters are liquid-like ionic polymers
Raffaella 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 units
Blake 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 Scales
Vanessa 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 perspectives
Alicia Schuitemaker, Katarzyna B Koziara, Paolo Raiteri, et al.
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Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
Nanoscale
|
July 21, 2025
Modelling silicate mineral interfaces for carbon dioxide sequestration: structure and stability of orthoenstatite surfaces
Julie 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 study
Alicia Schuitemaker, Paolo Raiteri, Raffaella Demichelis
Methods in Enzymology
|
November 6, 2013
Development of accurate force fields for the simulation of biomineralization
Paolo 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-Al2O3
Alessandro Erba, Jefferson Maul, Raffaella Demichelis, et al.
The Journal of Chemical Physics
|
December 2, 2009
Single-layered chrysotile nanotubes: A quantum mechanical ab initio simulation
Philippe 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 development
Raffaella Demichelis, Blake I Armstrong, Paolo Raiteri, et al.
Nature Communications
|
December 22, 2011
Stable prenucleation mineral clusters are liquid-like ionic polymers
Raffaella 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 units
Blake 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 Scales
Vanessa 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 perspectives
Alicia Schuitemaker, Katarzyna B Koziara, Paolo Raiteri, et al.
Page
of 2