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Journal Articles

Observation of the early stages of environmental contamination in graphene by friction force

Clara M. Almeida, Felipe Ptak, Rodrigo Prioli
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 214701 (2024)
https://doi.org/10.1063/5.0200875
Published: June 2024
View article titled, Observation of the early stages of environmental contamination in graphene by friction force
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Journal Articles

Measuring friction from simulations of folded graphene sheets

Charlie M. Rawlins, Gareth A. Tribello
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 174112 (2024)
https://doi.org/10.1063/5.0203397
Published: May 2024
View article titled, Measuring friction from simulations of folded graphene sheets
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Journal Articles

Time-dependent electron transfer and energy dissipation in condensed media

Elvis F. Arguelles, Osamu Sugino
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 144102 (2024)
https://doi.org/10.1063/5.0196143
Published: April 2024
View article titled, Time-dependent electron transfer and energy dissipation in condensed media
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Journal Articles

Electronic friction near metal surface: Incorporating nuclear quantum effect with ring polymer molecular dynamics

Rui-Hao Bi, Wenjie Dou
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 074110 (2024)
https://doi.org/10.1063/5.0187646
Published: February 2024
View article titled, Electronic friction near metal surface: Incorporating nuclear quantum effect with ring polymer molecular dynamics
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Journal Articles

Confinement enhanced viscosity vs shear thinning in lubricated ice friction

Łukasz Baran, Luis G. MacDowell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 056101 (2024)
https://doi.org/10.1063/5.0180337
Published: February 2024
View article titled, Confinement enhanced viscosity vs shear thinning in lubricated ice friction
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Journal Articles

Nonadiabatic dynamics near metal surfaces under Floquet engineering: Floquet electronic friction vs Floquet surface hopping

Yu Wang, Wenjie Dou
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 094103 (2023)
https://doi.org/10.1063/5.0161292
Published: September 2023
View article titled, Nonadiabatic dynamics near metal surfaces under Floquet engineering: Floquet electronic friction vs Floquet surface hopping
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Journal Articles

Diffusion coefficients of linear trimer particles

Anton Lüders, Bastian Heß, Peter Nielaba
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 054901 (2023)
https://doi.org/10.1063/5.0158286
Published: August 2023
View article titled, Diffusion coefficients of linear trimer particles
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Includes: Supplementary data
Journal Articles

Theoretical study of nonadiabatic hydrogen atom scattering dynamics on metal surfaces using the hierarchical equations of motion method

Xiaohan Dan, Qiang Shi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 044101 (2023)
https://doi.org/10.1063/5.0155172
Published: July 2023
View article titled, Theoretical study of nonadiabatic hydrogen atom scattering dynamics on metal surfaces using the hierarchical equations of motion method
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Journal Articles

Equilibrium molecular dynamics evaluation of the solid–liquid friction coefficient: Role of timescales

Haruki Oga, Takeshi Omori, Laurent Joly, Yasutaka Yamaguchi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 024701 (2023)
https://doi.org/10.1063/5.0155628
Published: July 2023
View article titled, Equilibrium molecular dynamics evaluation of the solid–liquid friction coefficient: Role of timescales
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Journal Articles

Molecular simulations of sliding on SDS surfactant films

Johannes L. Hörmann, Liu Chenxu (刘宸旭), Meng Yonggang (孟永钢), Lars Pastewka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 244703 (2023)
https://doi.org/10.1063/5.0153397
Published: June 2023
View article titled, Molecular simulations of sliding on SDS surfactant films
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Journal Articles

When marbles challenge pearls

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Panlin Jin, Kexin Zhao, Zoé Blin, Malou Allais, Timothée Mouterde, David Quéré
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 204709 (2023)
https://doi.org/10.1063/5.0150082
Published: May 2023
View article titled, When marbles challenge pearls
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Journal Articles

Micro-mechanical insights into the stress transmission in strongly aggregating colloidal gel

Yezaz Ahmed Gadi Man, Divas Singh Dagur, Saikat Roy
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 124902 (2023)
https://doi.org/10.1063/5.0137851
Published: March 2023
View article titled, Micro-mechanical insights into the stress transmission in strongly aggregating colloidal gel
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Journal Articles

A new mechanism of the interfacial water film dominating low ice friction

Yang Zhao, Yang Wu, Luyao Bao, Feng Zhou, Weimin Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 234703 (2022)
https://doi.org/10.1063/5.0131249
Published: December 2022
View article titled, A new mechanism of the interfacial water film dominating low ice friction
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Includes: Supplementary data
Journal Articles

Correlation between ordering and shear thinning in confined OMCTS liquids

Yusei Kobayashi, Noriyoshi Arai, Kenji Yasuoka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 114506 (2022)
https://doi.org/10.1063/5.0099473
Published: September 2022
View article titled, Correlation between ordering and shear thinning in confined OMCTS liquids
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Includes: Supplementary data
Journal Articles

Statistics for an object actively driven by spontaneous symmetry breaking into reversible directions

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Andreas M. Menzel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 011102 (2022)
https://doi.org/10.1063/5.0093598
Published: July 2022
View article titled, Statistics for an object actively driven by spontaneous symmetry breaking into reversible directions
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Journal Articles

Position-dependent memory kernel in generalized Langevin equations: Theory and numerical estimation

Hadrien Vroylandt, Pierre Monmarché
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 244105 (2022)
https://doi.org/10.1063/5.0094566
Published: June 2022
View article titled, Position-dependent memory kernel in generalized Langevin equations: Theory and numerical estimation
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Journal Articles

Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications

Y. Litman, E. S. Pós, C. L. Box, R. Martinazzo, R. J. Maurer, M. Rossi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 194107 (2022)
https://doi.org/10.1063/5.0088400
Published: May 2022
View article titled, Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. II. Benchmarks and applications
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Includes: Supplementary data
Journal Articles

Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. I. Theory

Y. Litman, E. S. Pós, C. L. Box, R. Martinazzo, R. J. Maurer, M. Rossi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 194106 (2022)
https://doi.org/10.1063/5.0088399
Published: May 2022
View article titled, Dissipative tunneling rates through the incorporation of first-principles electronic friction in instanton rate theory. I. Theory
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Journal Articles

High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning

Co D. Quach, Justin B. Gilmer, Daniel Pert, Akanke Mason-Hogans, Christopher R. Iacovella, Peter T. Cummings, Clare McCabe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 154902 (2022)
https://doi.org/10.1063/5.0080838
Published: April 2022
View article titled, High-throughput screening of tribological properties of monolayer films using molecular dynamics and machine learning
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Includes: Supplementary data
Journal Articles

Classical master equations and broadened classical master equations: Some analytical results

Igor G. Medvedev
Journal: The Journal of Chemical Physics
J. Chem. Phys. 155, 114116 (2021)
https://doi.org/10.1063/5.0064325
Published: September 2021
View article titled, Classical master equations and broadened classical master equations: Some analytical results
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