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The Journal of Physical Chemistry. B|April 22, 2021
Stability of a Monoethanolamine-CO2 Zwitterion at the Vapor/Liquid Water Interface: Implications for Low Partial Pressure Carbon Capture TechnologiesAlessandro Sinopoli, Ahmed Abotaleb, Fabio Pietrucci, et al.Physical Review Letters|May 18, 2013
Nucleation process of a fibril precursor in the C-terminal segment of amyloid-βFahimeh Baftizadeh, Fabio Pietrucci, Xevi Biarnés, et al.The Journal of Chemical Physics|October 26, 2023
Inferring free-energy barriers and kinetic rates from molecular dynamics via underdamped Langevin modelsDavid Daniel Girardier, Hadrien Vroylandt, Sara Bonella, et al.Journal of Chemical Theory and Computation|August 5, 2022
Combining Machine Learning Approaches and Accurate Ab Initio Enhanced Sampling Methods for Prebiotic Chemical Reactions in SolutionTimothée Devergne, Théo Magrino, Fabio Pietrucci, et al.The Journal of Physical Chemistry. A|November 17, 2022
Critical Assessment of Data-Driven versus Heuristic Reaction Coordinates in Solution ChemistryThéo Magrino, Léon Huet, A Marco Saitta, et al.Physical Review Letters|March 20, 2026
Correcting Systematic Parametrization Errors in Underdamped Langevin Models of Molecular Dynamics TrajectoriesDavid Daniel Girardier, Hadrien Vroylandt, Sara Bonella, et al.Physical Review. E|October 19, 2024
Efficient machine learning approach for accurate free-energy profiles and kinetic ratesTimothée Devergne, Leon Huet, Fabio Pietrucci, et al.Journal of Chemical Theory and Computation|November 21, 2015
Characterizing and Understanding Divalent Adsorbates on Carbon Nanotubes with Ab Initio and Classical Approaches: Size, Chirality, and Coverage EffectsJaap M H Kroes, Fabio Pietrucci, Alessandro Curioni, et al.Journal of Chemical Theory and Computation|November 22, 2015
The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2Ciro A Guido, Fabio Pietrucci, Grégoire A Gallet, et al.Proceedings of the National Academy of Sciences of the United States of America|March 23, 2022
Likelihood-based non-Markovian models from molecular dynamicsHadrien Vroylandt, Ludovic Goudenège, Pierre Monmarché, et al.Pageof 9