Publications by authors named "Mark DelloStritto"

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On the origin of hydrophilic interactions at alumina surfaces.
Venkata Surya Kumar Choutipalli, Michael L Klein, Mark DelloStritto

J Chem Phys· November 2025

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Improved loss functions for machine-learned atomic potentials.
Mark DelloStritto, Michael L Klein

J Chem Phys· October 2025

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Microscopic insights into the solvation of polyethylene glycol chains in water: A machine learning potential approach.
Subhajit Acharya, Michael L Klein, Mark DelloStritto

J Chem Phys· August 2025

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Molecular dynamics studies of knotted polymers.
Mark DelloStritto, Cristian Micheletti, Michael L Klein

J Chem Phys· December 2024

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Understanding Strain and Failure of a Knot in Polyethylene Using Molecular Dynamics with Machine-Learned Potentials.
Mark DelloStritto, Michael L Klein

J Phys Chem Lett· September 2024

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Detecting Liquid-Liquid Phase Separations Using Molecular Dynamics Simulations and Spectral Clustering.
Mohsen Farshad, Mark J DelloStritto, Antonio Suma, Vincenzo Carnevale

J Phys Chem B· April 2023

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Probing the Gold/Water Interface with Surface-Specific Spectroscopy.
Stefan M Piontek, Dennis Naujoks, Tadneem Tabassum, Mark J DelloStritto, Maximilian Jaugstetter

ACS Phys Chem Au· January 2023

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Modeling the Ultrafast Electron Attachment Dynamics of Solvated Uracil.
Cate S Anstöter, Mark DelloStritto, Michael L Klein, Spiridoula Matsika

J Phys Chem A· August 2021

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Probing Heterogeneous Charge Distributions at the α-AlO(0001)/HO Interface.
Stefan M Piontek, Mark DelloStritto, Bijoya Mandal, Tim Marshall, Michael L Klein

J Am Chem Soc· July 2020

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Aqueous solvation of the chloride ion revisited with density functional theory: impact of correlation and exchange approximations.
Mark DelloStritto, Jianhang Xu, Xifan Wu, Michael L Klein

Phys Chem Chem Phys· May 2020

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Bond-Dependent Thole Model for Polarizability and Spectroscopy.
Mark DelloStritto, Michael L Klein, Eric Borguet

J Phys Chem A· June 2019

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Effect of Functional and Electron Correlation on the Structure and Spectroscopy of the AlO(001)-HO Interface.
Mark J DelloStritto, Stefan M Piontek, Michael L Klein, Eric Borguet

J Phys Chem Lett· May 2019

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Bond Polarizability Model for Sum Frequency Generation at the AlO(0001)-HO Interface.
Mark DelloStritto, Jorge Sofo

J Phys Chem A· April 2017

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Effect of Ions on H-Bond Structure and Dynamics at the Quartz(101)-Water Interface.
Mark J DelloStritto, James D Kubicki, Jorge O Sofo

Langmuir· November 2016

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