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Nottoli, Michele
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1

The OpenMMPol library for polarizable QM/MM calculations of..:

Bondanza, Mattia ; Nottoli, Tommaso ; Nottoli, Michele...
The Journal of Chemical Physics.  160 (2024)  13 - p. , 2024
Link: https://doi.org/10.1063/..
 
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2

Linear scaling computation of forces for the domain-decompo..:

Jha, Abhinav ; Nottoli, Michele ; Mikhalev, Aleksandr..
The Journal of Chemical Physics.  158 (2023)  10 - p. , 2023
Link: https://doi.org/10.1063/..
 
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3

QM/AMOEBA description of properties and dynamics of embedde..:

Nottoli, Michele ; Bondanza, Mattia ; Mazzeo, Patrizia...
WIREs Computational Molecular Science.  13 (2023)  6 - p. , 2023
Link: https://doi.org/10.1002/..
 
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4

Coarse-Graining ddCOSMO through an Interface between Tinker..:

Nottoli, Michele ; Mikhalev, Aleksandr ; Stamm, Benjamin.
The Journal of Physical Chemistry B.  126 (2022)  43 - p. 8827-8837 , 2022
Link: https://doi.org/10.1021/..
 
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5

Molecular Dynamics Simulations Enforcing Nonperiodic Bounda..:

Mancini, Giordano ; Fusè, Marco ; Lipparini, Filippo...
Journal of Chemical Theory and Computation.  18 (2022)  4 - p. 2479-2493 , 2022
Link: https://doi.org/10.1021/..
 
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6

A ΔSCF model for excited states within a polarisable embedd..:

Nottoli, Michele ; Mazzeo, Patrizia ; Lipparini, Filippo..
Molecular Physics.  121 (2022)  9-10 - p. , 2022
Link: https://doi.org/10.1080/..
 
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7

An enhanced sampling QM/AMOEBA approach: The case of the ex..:

Nottoli, Michele ; Bondanza, Mattia ; Lipparini, Filippo.
The Journal of Chemical Physics.  154 (2021)  18 - p. , 2021
Link: https://doi.org/10.1063/..
 
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8

Ultrafast Transient Infrared Spectroscopy of Photoreceptors..:

Macaluso, Veronica ; Hashem, Shaima ; Nottoli, Michele...
The Journal of Physical Chemistry B.  125 (2021)  36 - p. 10282-10292 , 2021
Link: https://doi.org/10.1021/..
 
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9

Energy, Structures, and Response Properties with a Fully Co..:

Nottoli, Michele ; Nifosì, Riccardo ; Mennucci, Benedetta.
Journal of Chemical Theory and Computation.  17 (2021)  9 - p. 5661-5672 , 2021
Link: https://doi.org/10.1021/..
 
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10

From crystallographic data to the solution structure of pho..:

Hashem, Shaima ; Macaluso, Veronica ; Nottoli, Michele...
Chemical Science.  12 (2021)  40 - p. 13331-13342 , 2021
Link: https://doi.org/10.1039/..
 
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11

Successes & challenges in the atomistic modeling of light-h..:

Cupellini, Lorenzo ; Bondanza, Mattia ; Nottoli, Michele.
Biochimica et Biophysica Acta (BBA) - Bioenergetics.  1861 (2020)  4 - p. 148049 , 2020
Link: https://doi.org/10.1016/..
 
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12

Excited state Born–Oppenheimer molecular dynamics through c..:

Nottoli, Michele ; Mennucci, Benedetta ; Lipparini, Filippo
Physical Chemistry Chemical Physics.  22 (2020)  35 - p. 19532-19541 , 2020
Link: https://doi.org/10.1039/..
 
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13

General formulation of polarizable embedding models and of ..:

Nottoli, Michele ; Lipparini, Filippo
The Journal of Chemical Physics.  153 (2020)  22 - p. , 2020
Link: https://doi.org/10.1063/..
 
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14

Polarizable embedding QM/MM: the future gold standard for c..:

Bondanza, Mattia ; Nottoli, Michele ; Cupellini, Lorenzo..
Physical Chemistry Chemical Physics.  22 (2020)  26 - p. 14433-14448 , 2020
Link: https://doi.org/10.1039/..
 
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15

Quantum Calculations in Solution of Energies, Structures, a..:

Nottoli, Michele ; Stamm, Benjamin ; Scalmani, Giovanni.
Journal of Chemical Theory and Computation.  15 (2019)  11 - p. 6061-6073 , 2019
Link: https://doi.org/10.1021/..
 
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