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Physical Chemistry Chemical Physics : PCCP
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May 17, 2023
Computational workflows for perovskites: case study for lanthanide manganites
Peter Kraus, Paolo Raiteri, Julian D Gale
The Journal of Chemical Physics
|
November 3, 2020
Molecular dynamics simulations of liquid-liquid interfaces in an electric field: The water-1,2-dichloroethane interface
Paolo Raiteri, Peter Kraus, Julian D Gale
ACS Nano
|
November 4, 2011
Self-assembling of zinc phthalocyanines on ZnO (1010) surface through multiple time scales
Claudio Melis, Paolo Raiteri, Luciano Colombo, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 6, 2025
Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid state
Pablo M Piaggi, Julian D Gale, Paolo Raiteri
Physical Review Letters
|
June 4, 2008
Influence of temperature and anisotropic pressure on the phase transitions in alpha-cristobalite
Davide Donadio, Roman Martonák, Paolo Raiteri, et al.
Journal of the American Chemical Society
|
July 5, 2011
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
The Journal of Physical Chemistry. B
|
June 28, 2022
Calculations of the Evolution of the Ca L<sub>23</sub> Fine Structure in Amorphous Calcium Carbonate
Keren Kahil, Paolo Raiteri, Julian D Gale, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2011
A reactive force field for aqueous-calcium carbonate systems
Julian D Gale, Paolo Raiteri, Adri C T van Duin
The Journal of Chemical Physics
|
September 15, 2025
Pseudo-grand canonical molecular dynamics via volumetrically controlled osmotic pressure
Blake I Armstrong, Aaron D Copeland, Davide Donadio, 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.
Page
of 7
Search research articles
Search
Showing results (11-20 of 62) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2023
Computational workflows for perovskites: case study for lanthanide manganites
Peter Kraus, Paolo Raiteri, Julian D Gale
The Journal of Chemical Physics
|
November 3, 2020
Molecular dynamics simulations of liquid-liquid interfaces in an electric field: The water-1,2-dichloroethane interface
Paolo Raiteri, Peter Kraus, Julian D Gale
ACS Nano
|
November 4, 2011
Self-assembling of zinc phthalocyanines on ZnO (1010) surface through multiple time scales
Claudio Melis, Paolo Raiteri, Luciano Colombo, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 6, 2025
Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid state
Pablo M Piaggi, Julian D Gale, Paolo Raiteri
Physical Review Letters
|
June 4, 2008
Influence of temperature and anisotropic pressure on the phase transitions in alpha-cristobalite
Davide Donadio, Roman Martonák, Paolo Raiteri, et al.
Journal of the American Chemical Society
|
July 5, 2011
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
The Journal of Physical Chemistry. B
|
June 28, 2022
Calculations of the Evolution of the Ca L<sub>23</sub> Fine Structure in Amorphous Calcium Carbonate
Keren Kahil, Paolo Raiteri, Julian D Gale, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2011
A reactive force field for aqueous-calcium carbonate systems
Julian D Gale, Paolo Raiteri, Adri C T van Duin
The Journal of Chemical Physics
|
September 15, 2025
Pseudo-grand canonical molecular dynamics via volumetrically controlled osmotic pressure
Blake I Armstrong, Aaron D Copeland, Davide Donadio, 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.
Page
of 7