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Journal Articles

Influence of quantum corrections on the predicted isobaric heat capacity of polarizable water models

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Edoardo Savoia, Elton Oyarzua, B. D. Todd, Richard J. Sadus
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 144503 (2025)
https://doi.org/10.1063/5.0256589
Published: April 2025
View articletitled, Influence of quantum corrections on the predicted isobaric heat capacity of polarizable water models
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Journal Articles

Hydrodynamic modes in nano-channels

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Solvej Knudsen, B. D. Todd, J. S. Hansen
Journal: Physics of Fluids
Physics of Fluids 37, 012021 (2025)
https://doi.org/10.1063/5.0232561
Published: January 2025
View articletitled, Hydrodynamic modes in nano-channels
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Journal Articles

The influence of water polarization on slip friction at charged interfaces

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Amith Kunhunni, Sleeba Varghese, Sridhar Kumar Kannam, Sarith P. Sathian, Peter J. Daivis, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 204705 (2024)
https://doi.org/10.1063/5.0232332
Published: November 2024
View articletitled, The influence of water polarization on slip friction at charged interfaces
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Journal Articles

Existence of a maximum flow rate in electro-osmotic systems

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Sleeba Varghese, B. D. Todd, J. S. Hansen
Journal: The Journal of Chemical Physics
J. Chem. Phys. 161, 194502 (2024)
https://doi.org/10.1063/5.0231610
Published: November 2024
View articletitled, Existence of a maximum flow rate in electro-osmotic systems
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Journal Articles

Slip and stress from low shear rate nonequilibrium molecular dynamics: The transient-time correlation function technique

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Luca Maffioli, Edward R. Smith, James P. Ewen, Peter J. Daivis, Daniele Dini, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 184111 (2022)
https://doi.org/10.1063/5.0088127
Published: May 2022
View articletitled, Slip and stress from low shear rate nonequilibrium molecular dynamics: The transient-time correlation function technique
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Journal Articles

Hydrodynamic slip of alkali chloride solutions in uncharged graphene nanochannels

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Amith Kunhunni, Sridhar Kumar Kannam, Sarith P. Sathian, B. D. Todd, P. J. Daivis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 014704 (2022)
https://doi.org/10.1063/5.0054681
Published: January 2022
View articletitled, Hydrodynamic slip of alkali chloride solutions in uncharged graphene nanochannels
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Journal Articles

Improved methodology to compute the intrinsic friction coefficient at solid–liquid interfaces

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Sleeba Varghese, J. S. Hansen, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 184707 (2021)
https://doi.org/10.1063/5.0040191
Published: May 2021
View articletitled, Improved methodology to compute the intrinsic friction coefficient at solid–liquid interfaces
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Journal Articles

The phase space distribution of confined fluids under shear is not fractal

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Luca Maffioli, Nathan Clisby, Federico Frascoli, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 094116 (2021)
https://doi.org/10.1063/5.0039192
Published: March 2021
View articletitled, The phase space distribution of confined fluids under shear is not fractal
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Journal Articles

Kapitza resistance at water–graphene interfaces

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Sobin Alosious, Sridhar Kumar Kannam, Sarith P. Sathian, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 224703 (2020)
https://doi.org/10.1063/5.0009001
Published: June 2020
View articletitled, Kapitza resistance at water–graphene interfaces
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Journal Articles

Prediction of Kapitza resistance at fluid-solid interfaces

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Sobin Alosious, Sridhar Kumar Kannam, Sarith P. Sathian, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 194502 (2019)
https://doi.org/10.1063/1.5126887
Published: November 2019
View articletitled, Prediction of Kapitza resistance at fluid-solid interfaces
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Journal Articles

Computation of the equilibrium three-particle entropy for dense atomic fluids by molecular dynamics simulation

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Luca Maffioli, Nathan Clisby, Federico Frascoli, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 164102 (2019)
https://doi.org/10.1063/1.5124715
Published: October 2019
View articletitled, Computation of the equilibrium three-particle entropy for dense atomic fluids by molecular dynamics simulation
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Journal Articles

Flow of water through carbon nanotubes predicted by different atomistic water models

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James Losey, Sridhar K. Kannam, B. D. Todd, Richard J. Sadus
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 194501 (2019)
https://doi.org/10.1063/1.5086054
Published: May 2019
View articletitled, Flow of water through carbon nanotubes predicted by different atomistic water models
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Journal Articles

Measuring heat flux beyond Fourier’s law

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E. R. Smith, P. J. Daivis, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 064103 (2019)
https://doi.org/10.1063/1.5079993
Published: February 2019
View articletitled, Measuring heat flux beyond Fourier’s law
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Journal Articles

A molecular dynamics investigation of the planar elongational rheology of chemically identical dendrimer-linear polymer blends

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Elnaz Hajizadeh, B. D. Todd, P. J. Daivis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 174911 (2015)
https://doi.org/10.1063/1.4919654
Published: May 2015
View articletitled, A molecular dynamics investigation of the planar elongational rheology of chemically identical dendrimer-linear polymer blends
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Journal Articles

Shear rheology and structural properties of chemically identical dendrimer-linear polymer blends through molecular dynamics simulations

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Elnaz Hajizadeh, B. D. Todd, P. J. Daivis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 141, 194905 (2014)
https://doi.org/10.1063/1.4901721
Published: November 2014
View articletitled, Shear rheology and structural properties of chemically identical dendrimer-linear polymer blends through molecular dynamics simulations
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Journal Articles

Nonequilibrium molecular dynamics simulation of dendrimers and hyperbranched polymer melts undergoing planar elongational flow

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Elnaz Hajizadeh, B. D. Todd, P. J. Daivis
Journal: Journal of Rheology
J. Rheol. 58, 281–305 (2014)
https://doi.org/10.1122/1.4860355
Published: March 2014
View articletitled, Nonequilibrium molecular dynamics simulation of dendrimers and hyperbranched polymer melts undergoing planar elongational flow
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Journal Articles

A new and effective method for thermostatting confined fluids

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Sergio De Luca, B. D. Todd, J. S. Hansen, Peter J. Daivis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 054502 (2014)
https://doi.org/10.1063/1.4862544
Published: February 2014
View articletitled, A new and effective method for thermostatting confined fluids
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Journal Articles

Computation of thermodynamic and transport properties to predict thermophoretic effects in an argon-krypton mixture

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Nicholas A. T. Miller, Peter J. Daivis, Ian K. Snook, B. D. Todd
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 144504 (2013)
https://doi.org/10.1063/1.4824140
Published: October 2013
View articletitled, Computation of thermodynamic and transport properties to predict thermophoretic effects in an argon-krypton mixture
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Journal Articles

Linear and nonlinear density response functions for a simple atomic fluid

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Benjamin A. Dalton, Kirill S. Glavatskiy, Peter J. Daivis, B. D. Todd, Ian K. Snook
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 044510 (2013)
https://doi.org/10.1063/1.4816514
Published: July 2013
View articletitled, Linear and nonlinear density response functions for a simple atomic fluid
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Journal Articles

A constitutive framework for the non-Newtonian pressure tensor of a simple fluid under planar flows

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Remco Hartkamp, B. D. Todd, Stefan Luding
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 244508 (2013)
https://doi.org/10.1063/1.4810746
Published: June 2013
View articletitled, A constitutive framework for the non-Newtonian pressure tensor of a simple fluid under planar flows
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