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The Journal of Chemical Physics
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July 2, 2014
An observable for vacancy characterization and diffusion in crystals
Pierre-Antoine Geslin, Giovanni Ciccotti, Simone Meloni
The Journal of Chemical Physics
|
June 3, 2019
On computing the solubility of molecular systems subject to constraints using the extended Einstein crystal method
Gianpaolo Gobbo, Giovanni Ciccotti, Bernhardt L Trout
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 7, 2005
Blue moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics
Giovanni Ciccotti, Raymond Kapral, Eric Vanden-Eijnden
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 28, 2007
Computing the acidity of liquids via ab initio molecular dynamics
Christian Simon, Giovanni Ciccotti, Michael L Klein
The Journal of Physical Chemistry. A
|
November 22, 2013
Equilibrium and rate constants, and reaction mechanism of the HF dissociation in the HF(H2O)7 cluster by ab initio rare event simulations
Alin Marin Elena, Simone Meloni, Giovanni Ciccotti
The Journal of Chemical Physics
|
February 19, 2025
A NEMD approach to the melt-front evolution under gravity
Mauro Ferrario, Giovanni Ciccotti, Daniela Mansutti, et al.
The Journal of Physical Chemistry. B
|
January 1, 2016
Probabilistic Derivation of Spatiotemporal Correlation Functions in the Hydrodynamic Limit
Giovanni Ciccotti, Sara Bonella, Mauro Ferrario, et al.
The Journal of Chemical Physics
|
February 16, 2015
Maximum probability domains for the analysis of the microscopic structure of liquids
Federica Agostini, Giovanni Ciccotti, Andreas Savin, et al.
The Journal of Physical Chemistry. B
|
February 24, 2012
Multiphoton absorption of myoglobin-nitric oxide complex: relaxation by D-NEMD of a stationary state
Grazia Cottone, Gianluca Lattanzi, Giovanni Ciccotti, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2012
The quantum free energy barrier for hydrogen vacancy diffusion in Na3AlH6
Adolfo Poma, Michele Monteferrante, Sara Bonella, et al.
Page
of 7
Search research articles
Search
Showing results (21-30 of 62) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
July 2, 2014
An observable for vacancy characterization and diffusion in crystals
Pierre-Antoine Geslin, Giovanni Ciccotti, Simone Meloni
The Journal of Chemical Physics
|
June 3, 2019
On computing the solubility of molecular systems subject to constraints using the extended Einstein crystal method
Gianpaolo Gobbo, Giovanni Ciccotti, Bernhardt L Trout
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 7, 2005
Blue moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics
Giovanni Ciccotti, Raymond Kapral, Eric Vanden-Eijnden
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 28, 2007
Computing the acidity of liquids via ab initio molecular dynamics
Christian Simon, Giovanni Ciccotti, Michael L Klein
The Journal of Physical Chemistry. A
|
November 22, 2013
Equilibrium and rate constants, and reaction mechanism of the HF dissociation in the HF(H2O)7 cluster by ab initio rare event simulations
Alin Marin Elena, Simone Meloni, Giovanni Ciccotti
The Journal of Chemical Physics
|
February 19, 2025
A NEMD approach to the melt-front evolution under gravity
Mauro Ferrario, Giovanni Ciccotti, Daniela Mansutti, et al.
The Journal of Physical Chemistry. B
|
January 1, 2016
Probabilistic Derivation of Spatiotemporal Correlation Functions in the Hydrodynamic Limit
Giovanni Ciccotti, Sara Bonella, Mauro Ferrario, et al.
The Journal of Chemical Physics
|
February 16, 2015
Maximum probability domains for the analysis of the microscopic structure of liquids
Federica Agostini, Giovanni Ciccotti, Andreas Savin, et al.
The Journal of Physical Chemistry. B
|
February 24, 2012
Multiphoton absorption of myoglobin-nitric oxide complex: relaxation by D-NEMD of a stationary state
Grazia Cottone, Gianluca Lattanzi, Giovanni Ciccotti, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 16, 2012
The quantum free energy barrier for hydrogen vacancy diffusion in Na3AlH6
Adolfo Poma, Michele Monteferrante, Sara Bonella, et al.
Page
of 7