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Paolo Pegolo

Showing results (1-10 of 7) with videos related to

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Journal of Chemical Theory and Computation|June 10, 2024
Seebeck Coefficient of Ionic Conductors from Bayesian Regression AnalysisEnrico Drigo, Stefano Baroni, Paolo Pegolo
The Journal of Chemical Physics|September 7, 2023
Self-interaction and transport of solvated electrons in molten saltsPaolo Pegolo, Stefano Baroni, Federico Grasselli
The Journal of Chemical Physics|February 13, 2025
Transport coefficients from equilibrium molecular dynamicsPaolo Pegolo, Enrico Drigo, Federico Grasselli, et al.
Journal of Chemical Theory and Computation|June 25, 2025
Exploring the Design Space of Machine Learning Models for Quantum Chemistry with a Fully Differentiable FrameworkDivya Suman, Jigyasa Nigam, Sandra Saade, et al.
Nature Communications|November 27, 2025
PET-MAD as a lightweight universal interatomic potential for advanced materials modelingArslan Mazitov, Filippo Bigi, Matthias Kellner, et al.
The Journal of Chemical Physics|February 11, 2026
metatensor and metatomic: Foundational libraries for interoperable atomistic machine learningFilippo Bigi, Joseph W Abbott, Philip Loche, et al.
Digital Discovery|June 17, 2026
Journal research data policies in materials scienceLukas Hörmann, Hemanadhan Myneni, Rwayda Kh S Al-Hamd, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
Journal of Chemical Theory and Computation|June 10, 2024
Seebeck Coefficient of Ionic Conductors from Bayesian Regression AnalysisEnrico Drigo, Stefano Baroni, Paolo Pegolo
The Journal of Chemical Physics|September 7, 2023
Self-interaction and transport of solvated electrons in molten saltsPaolo Pegolo, Stefano Baroni, Federico Grasselli
The Journal of Chemical Physics|February 13, 2025
Transport coefficients from equilibrium molecular dynamicsPaolo Pegolo, Enrico Drigo, Federico Grasselli, et al.
Journal of Chemical Theory and Computation|June 25, 2025
Exploring the Design Space of Machine Learning Models for Quantum Chemistry with a Fully Differentiable FrameworkDivya Suman, Jigyasa Nigam, Sandra Saade, et al.
Nature Communications|November 27, 2025
PET-MAD as a lightweight universal interatomic potential for advanced materials modelingArslan Mazitov, Filippo Bigi, Matthias Kellner, et al.
The Journal of Chemical Physics|February 11, 2026
metatensor and metatomic: Foundational libraries for interoperable atomistic machine learningFilippo Bigi, Joseph W Abbott, Philip Loche, et al.
Digital Discovery|June 17, 2026
Journal research data policies in materials scienceLukas Hörmann, Hemanadhan Myneni, Rwayda Kh S Al-Hamd, et al.
Pageof 1