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Journal of Chemical Theory and Computation
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November 19, 2015
Fate of a Graphene Flake: A New Route toward Fullerenes Disclosed with Ab Initio Simulations
Fabio Pietrucci, Wanda Andreoni
The Journal of Chemical Physics
|
March 16, 2015
Systematic comparison of crystalline and amorphous phases: Charting the landscape of water structures and transformations
Fabio Pietrucci, Roman Martoňák
Physical Review. E
|
February 17, 2023
Critical comparison of general-purpose collective variables for crystal nucleation
Julien Lam, Fabio Pietrucci
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 1, 2016
CO<sub>2</sub> capture in amine solutions: modelling and simulations with non-empirical methods
Wanda Andreoni, Fabio Pietrucci
Physical Review Letters
|
September 21, 2011
Graph theory meets ab initio molecular dynamics: atomic structures and transformations at the nanoscale
Fabio Pietrucci, Wanda Andreoni
Journal of Chemical Theory and Computation
|
December 1, 2015
A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1
Fabio Pietrucci, Alessandro Laio
Journal of Chemical Theory and Computation
|
July 28, 2022
Free Energy Landscapes, Diffusion Coefficients, and Kinetic Rates from Transition Paths
Karen Palacio-Rodriguez, Fabio Pietrucci
Proceedings of the National Academy of Sciences of the United States of America
|
November 25, 2015
Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios
Fabio Pietrucci, Antonino Marco Saitta
The Journal of Chemical Physics
|
August 24, 2013
Structural cluster analysis of chemical reactions in solution
Grégoire A Gallet, Fabio Pietrucci
The Journal of Chemical Physics
|
October 16, 2021
Impurity diffusion in magic-size icosahedral clusters
Diana Nelli, Fabio Pietrucci, Riccardo Ferrando
Page
of 7
Search research articles
Search
Showing results (1-10 of 70) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
November 19, 2015
Fate of a Graphene Flake: A New Route toward Fullerenes Disclosed with Ab Initio Simulations
Fabio Pietrucci, Wanda Andreoni
The Journal of Chemical Physics
|
March 16, 2015
Systematic comparison of crystalline and amorphous phases: Charting the landscape of water structures and transformations
Fabio Pietrucci, Roman Martoňák
Physical Review. E
|
February 17, 2023
Critical comparison of general-purpose collective variables for crystal nucleation
Julien Lam, Fabio Pietrucci
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
November 1, 2016
CO<sub>2</sub> capture in amine solutions: modelling and simulations with non-empirical methods
Wanda Andreoni, Fabio Pietrucci
Physical Review Letters
|
September 21, 2011
Graph theory meets ab initio molecular dynamics: atomic structures and transformations at the nanoscale
Fabio Pietrucci, Wanda Andreoni
Journal of Chemical Theory and Computation
|
December 1, 2015
A Collective Variable for the Efficient Exploration of Protein Beta-Sheet Structures: Application to SH3 and GB1
Fabio Pietrucci, Alessandro Laio
Journal of Chemical Theory and Computation
|
July 28, 2022
Free Energy Landscapes, Diffusion Coefficients, and Kinetic Rates from Transition Paths
Karen Palacio-Rodriguez, Fabio Pietrucci
Proceedings of the National Academy of Sciences of the United States of America
|
November 25, 2015
Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios
Fabio Pietrucci, Antonino Marco Saitta
The Journal of Chemical Physics
|
August 24, 2013
Structural cluster analysis of chemical reactions in solution
Grégoire A Gallet, Fabio Pietrucci
The Journal of Chemical Physics
|
October 16, 2021
Impurity diffusion in magic-size icosahedral clusters
Diana Nelli, Fabio Pietrucci, Riccardo Ferrando
Page
of 7