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Federico Zipoli

Showing results (1-10 of 18) with videos related to

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Physical Review. E|February 23, 2022
Quality of uncertainty estimates from neural network potential ensemblesLeonid Kahle, Federico Zipoli
The Journal of Physical Chemistry. B|November 17, 2006
Ab initio simulation of the grafting of phenylacetylene on hydrogenated surfaces of crystalline silicon catalyzed by a Lewis acidFederico Zipoli, Marco Bernasconi
Scientific Data|August 7, 2025
IR-NMR multimodal computational spectra dataset for 177K patent-extracted organic moleculesFederico Zipoli, Marvin Alberts, Teodoro Laino
Digital Discovery|June 30, 2025
Setting new benchmarks in AI-driven infrared structure elucidationMarvin Alberts, Federico Zipoli, Teodoro Laino
Journal of the American Chemical Society|June 5, 2010
Simulation of electrocatalytic hydrogen production by a bioinspired catalyst anchored to a pyrite electrodeFederico Zipoli, Roberto Car, Morrel H Cohen, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Theoretical Design by First Principles Molecular Dynamics of a Bioinspired Electrode-Catalyst System for Electrocatalytic Hydrogen Production from Acidified WaterFederico Zipoli, Roberto Car, Morrel H Cohen, et al.
The Journal of Physical Chemistry. B|September 10, 2009
Hydrogen production by the naked active site of the di-iron hydrogenases in waterFederico Zipoli, Roberto Car, Morrel H Cohen, et al.
The Journal of Chemical Physics|May 6, 2006
A QUICKSTEP-based quantum mechanics/molecular mechanics approach for silicaFederico Zipoli, Teodoro Laino, Alessandro Laio, et al.
The Journal of Chemical Physics|September 14, 2013
Improved coarse-grained model for molecular-dynamics simulations of water nucleationFederico Zipoli, Teodoro Laino, Steffen Stolz, et al.
Nature Communications|July 17, 2024
Learning a reactive potential for silica-water through uncertainty attributionSwagata Roy, Johannes P Dürholt, Thomas S Asche, et al.
Pageof 2

Showing results (1-10 of 18) with videos related to

Sort By:
Pageof 2
Physical Review. E|February 23, 2022
Quality of uncertainty estimates from neural network potential ensemblesLeonid Kahle, Federico Zipoli
The Journal of Physical Chemistry. B|November 17, 2006
Ab initio simulation of the grafting of phenylacetylene on hydrogenated surfaces of crystalline silicon catalyzed by a Lewis acidFederico Zipoli, Marco Bernasconi
Scientific Data|August 7, 2025
IR-NMR multimodal computational spectra dataset for 177K patent-extracted organic moleculesFederico Zipoli, Marvin Alberts, Teodoro Laino
Digital Discovery|June 30, 2025
Setting new benchmarks in AI-driven infrared structure elucidationMarvin Alberts, Federico Zipoli, Teodoro Laino
Journal of the American Chemical Society|June 5, 2010
Simulation of electrocatalytic hydrogen production by a bioinspired catalyst anchored to a pyrite electrodeFederico Zipoli, Roberto Car, Morrel H Cohen, et al.
Journal of Chemical Theory and Computation|December 1, 2015
Theoretical Design by First Principles Molecular Dynamics of a Bioinspired Electrode-Catalyst System for Electrocatalytic Hydrogen Production from Acidified WaterFederico Zipoli, Roberto Car, Morrel H Cohen, et al.
The Journal of Physical Chemistry. B|September 10, 2009
Hydrogen production by the naked active site of the di-iron hydrogenases in waterFederico Zipoli, Roberto Car, Morrel H Cohen, et al.
The Journal of Chemical Physics|May 6, 2006
A QUICKSTEP-based quantum mechanics/molecular mechanics approach for silicaFederico Zipoli, Teodoro Laino, Alessandro Laio, et al.
The Journal of Chemical Physics|September 14, 2013
Improved coarse-grained model for molecular-dynamics simulations of water nucleationFederico Zipoli, Teodoro Laino, Steffen Stolz, et al.
Nature Communications|July 17, 2024
Learning a reactive potential for silica-water through uncertainty attributionSwagata Roy, Johannes P Dürholt, Thomas S Asche, et al.
Pageof 2