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Michele Nottoli

Showing results (1-10 of 19) with videos related to

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The Journal of Chemical Physics|December 15, 2020
General formulation of polarizable embedding models and of their couplingMichele Nottoli, Filippo Lipparini
Physical Chemistry Chemical Physics : PCCP|August 27, 2020
Excited state Born-Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBAMichele Nottoli, Benedetta Mennucci, Filippo Lipparini
Journal of Chemical Theory and Computation|February 7, 2025
Grassmann Extrapolation for Accelerating Geometry OptimizationZahra Askarpour, Michele Nottoli, Benjamin Stamm
Journal of Chemical Theory and Computation|September 3, 2021
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO ImplementationMichele Nottoli, Riccardo Nifosì, Benedetta Mennucci, et al.
The Journal of Physical Chemistry. B|October 20, 2022
Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX LibraryMichele Nottoli, Aleksandr Mikhalev, Benjamin Stamm, et al.
Journal of Chemical Theory and Computation|September 12, 2019
Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum ModelMichele Nottoli, Benjamin Stamm, Giovanni Scalmani, et al.
Biochimica Et Biophysica Acta. Bioenergetics|August 7, 2019
Successes & challenges in the atomistic modeling of light-harvesting and its photoregulationLorenzo Cupellini, Mattia Bondanza, Michele Nottoli, et al.
The Journal of Chemical Physics|July 9, 2021
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavoneMichele Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
Chemical Science|February 15, 2020
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modelingFelipe Cardoso Ramos, Michele Nottoli, Lorenzo Cupellini, et al.
The Journal of Chemical Physics|March 15, 2023
Linear scaling computation of forces for the domain-decomposition linear Poisson-Boltzmann methodAbhinav Jha, Michele Nottoli, Aleksandr Mikhalev, et al.
Pageof 2

Showing results (1-10 of 19) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|December 15, 2020
General formulation of polarizable embedding models and of their couplingMichele Nottoli, Filippo Lipparini
Physical Chemistry Chemical Physics : PCCP|August 27, 2020
Excited state Born-Oppenheimer molecular dynamics through coupling between time dependent DFT and AMOEBAMichele Nottoli, Benedetta Mennucci, Filippo Lipparini
Journal of Chemical Theory and Computation|February 7, 2025
Grassmann Extrapolation for Accelerating Geometry OptimizationZahra Askarpour, Michele Nottoli, Benjamin Stamm
Journal of Chemical Theory and Computation|September 3, 2021
Energy, Structures, and Response Properties with a Fully Coupled QM/AMOEBA/ddCOSMO ImplementationMichele Nottoli, Riccardo Nifosì, Benedetta Mennucci, et al.
The Journal of Physical Chemistry. B|October 20, 2022
Coarse-Graining ddCOSMO through an Interface between Tinker and the ddX LibraryMichele Nottoli, Aleksandr Mikhalev, Benjamin Stamm, et al.
Journal of Chemical Theory and Computation|September 12, 2019
Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum ModelMichele Nottoli, Benjamin Stamm, Giovanni Scalmani, et al.
Biochimica Et Biophysica Acta. Bioenergetics|August 7, 2019
Successes & challenges in the atomistic modeling of light-harvesting and its photoregulationLorenzo Cupellini, Mattia Bondanza, Michele Nottoli, et al.
The Journal of Chemical Physics|July 9, 2021
An enhanced sampling QM/AMOEBA approach: The case of the excited state intramolecular proton transfer in solvated 3-hydroxyflavoneMichele Nottoli, Mattia Bondanza, Filippo Lipparini, et al.
Chemical Science|February 15, 2020
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modelingFelipe Cardoso Ramos, Michele Nottoli, Lorenzo Cupellini, et al.
The Journal of Chemical Physics|March 15, 2023
Linear scaling computation of forces for the domain-decomposition linear Poisson-Boltzmann methodAbhinav Jha, Michele Nottoli, Aleksandr Mikhalev, et al.
Pageof 2