Showing results (1-10 of 401) with videos related to

Sort By:
Pageof 41
The Journal of Chemical Physics|March 9, 2026
Interchain coupling and vibrational mode analysis of polytetrafluoroethylene using machine-learned potentialsMin-Sang Lee, Michael L Klein, Mark DelloStritto
The Journal of Chemical Physics|April 8, 2026
Understanding twist-disorder of polytetrafluoroethylene (PTFE) chains using neural network potential molecular dynamicsMin-Sang Lee, Michael L Klein, Mark DelloStritto
The Journal of Chemical Physics|October 1, 2025
Improved loss functions for machine-learned atomic potentialsMark DelloStritto, Michael L Klein
The Journal of Physical Chemistry Letters|August 28, 2024
Understanding Strain and Failure of a Knot in Polyethylene Using Molecular Dynamics with Machine-Learned PotentialsMark DelloStritto, Michael L Klein
The Journal of Chemical Physics|December 23, 2024
Molecular dynamics studies of knotted polymersMark DelloStritto, Cristian Micheletti, Michael L Klein
The Journal of Physical Chemistry. A|June 14, 2019
Bond-Dependent Thole Model for Polarizability and SpectroscopyMark DelloStritto, Michael L Klein, Eric Borguet
The Journal of Chemical Physics|August 11, 2025
Microscopic insights into the solvation of polyethylene glycol chains in water: A machine learning potential approachSubhajit Acharya, Michael L Klein, Mark DelloStritto
Physical Chemistry Chemical Physics : PCCP|February 5, 2020
Aqueous solvation of the chloride ion revisited with density functional theory: impact of correlation and exchange approximationsMark DelloStritto, Jianhang Xu, Xifan Wu, et al.
The Journal of Chemical Physics|November 20, 2025
On the origin of hydrophilic interactions at alumina surfacesVenkata Surya Kumar Choutipalli, Michael L Klein, Mark DelloStritto
The Journal of Physical Chemistry. A|August 4, 2021
Modeling the Ultrafast Electron Attachment Dynamics of Solvated UracilCate S Anstöter, Mark DelloStritto, Michael L Klein, et al.
Pageof 41