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The Journal of Chemical Physics
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April 9, 2022
Investigating finite-size effects in molecular dynamics simulations of ion diffusion, heat transport, and thermal motion in superionic materials
Federico Grasselli
The European Physical Journal. B
|
November 15, 2021
Invariance principles in the theory and computation of transport coefficients
Federico Grasselli, Stefano Baroni
Nature Communications
|
July 19, 2020
Heat and charge transport in H<sub>2</sub>O at ice-giant conditions from ab initio molecular dynamics simulations
Federico Grasselli, Lars Stixrude, Stefano Baroni
The Journal of Chemical Physics
|
September 7, 2023
Self-interaction and transport of solvated electrons in molten salts
Paolo Pegolo, Stefano Baroni, Federico Grasselli
The Journal of Chemical Physics
|
January 24, 2015
Space- and time-dependent quantum dynamics of spatially indirect excitons in semiconductor heterostructures
Federico Grasselli, Andrea Bertoni, Guido Goldoni
Physical Review Letters
|
July 27, 2019
Theory and Numerical Simulation of Heat Transport in Multicomponent Systems
Riccardo Bertossa, Federico Grasselli, Loris Ercole, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
February 19, 2024
Mechanism of Charge Transport in Lithium Thiophosphate
Lorenzo Gigli, Davide Tisi, Federico Grasselli, et al.
The Journal of Chemical Physics
|
February 13, 2025
Transport coefficients from equilibrium molecular dynamics
Paolo Pegolo, Enrico Drigo, Federico Grasselli, et al.
Digital Discovery
|
September 15, 2025
Uncertainty in the era of machine learning for atomistic modeling
Federico Grasselli, Sanggyu Chong, Venkat Kapil, et al.
Journal of Chemical Theory and Computation
|
August 18, 2025
Machine Learning Model for Efficient Nonthermal Tuning of the Charge Density Wave in Monolayer NbSe<sub>2</sub>
Luka Benić, Federico Grasselli, Chiheb Ben Mahmoud, et al.
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Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
April 9, 2022
Investigating finite-size effects in molecular dynamics simulations of ion diffusion, heat transport, and thermal motion in superionic materials
Federico Grasselli
The European Physical Journal. B
|
November 15, 2021
Invariance principles in the theory and computation of transport coefficients
Federico Grasselli, Stefano Baroni
Nature Communications
|
July 19, 2020
Heat and charge transport in H<sub>2</sub>O at ice-giant conditions from ab initio molecular dynamics simulations
Federico Grasselli, Lars Stixrude, Stefano Baroni
The Journal of Chemical Physics
|
September 7, 2023
Self-interaction and transport of solvated electrons in molten salts
Paolo Pegolo, Stefano Baroni, Federico Grasselli
The Journal of Chemical Physics
|
January 24, 2015
Space- and time-dependent quantum dynamics of spatially indirect excitons in semiconductor heterostructures
Federico Grasselli, Andrea Bertoni, Guido Goldoni
Physical Review Letters
|
July 27, 2019
Theory and Numerical Simulation of Heat Transport in Multicomponent Systems
Riccardo Bertossa, Federico Grasselli, Loris Ercole, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
February 19, 2024
Mechanism of Charge Transport in Lithium Thiophosphate
Lorenzo Gigli, Davide Tisi, Federico Grasselli, et al.
The Journal of Chemical Physics
|
February 13, 2025
Transport coefficients from equilibrium molecular dynamics
Paolo Pegolo, Enrico Drigo, Federico Grasselli, et al.
Digital Discovery
|
September 15, 2025
Uncertainty in the era of machine learning for atomistic modeling
Federico Grasselli, Sanggyu Chong, Venkat Kapil, et al.
Journal of Chemical Theory and Computation
|
August 18, 2025
Machine Learning Model for Efficient Nonthermal Tuning of the Charge Density Wave in Monolayer NbSe<sub>2</sub>
Luka Benić, Federico Grasselli, Chiheb Ben Mahmoud, et al.
Page
of 2