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6 results in Keywords: non-equilibrium molecular dynamics

Physical Chemistry

Thermal Transport in Citrate-Capped Gold Interfaces using a Polarizable Force Field

Sydney A. Shavalier, J. Daniel Gezelter

Version 1 posted 08 July 2022

530

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Chemical Engineering and Industrial Chemistry

Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state

Nils Edvin Richard Zimmermann, Gabriela Guevara-Carrion, Jadran Vrabec, Niels Hansen

Version 2 posted 05 July 2022

331

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Theoretical and Computational Chemistry

Effect of Electric Fields on the Decomposition of Phosphate Esters

Zhaoran Zhu, James P. Ewen, Efstratios M. Kritikos, Andrea Giusti, Daniele Dini

Version 1 posted 17 May 2024

518

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Chemical Engineering and Industrial Chemistry

Emergence of the Robeson bound in non-equilibrium molecular dynamics simulations

Tianmu Yuan, Ronaldo Giro, Mathias B. Steiner, Hsianghan Hsu, Lev Sarkisov

Version 1 posted 20 December 2024

86

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Theoretical and Computational Chemistry

Effects of Surface Chemistry on the Mechanochemical Decomposition of Lubricant Additives

Egheosa Ogbomo, Fakhrul H. Bhuiyan, Carlos Ayestaran Latorre, Ashlie Martini, James Ewen

Version 1 posted 26 September 2023

267

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Physical Chemistry

Boundary lubrication performance of polyelectrolyte-surfactant complexes on biomimetic surfaces

Erik Weiand, Peter H. Koenig, Francisco Rodriguez-Ropero, Yuri Roiter, Stefano Angioletti-Uberti, Daniele Dini, James P. Ewen

Version 1 posted 13 December 2023

225

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