Publications

• D. M. Heyes, D. Dini, and E. R. Smith. Single trajectory transport coefficients and the energy landscape by molecular dynamics simulations. The Journal of Chemical Physics, 152(19):194504, 2020. (doi:10.1063/5.0005600)
• D. M. Heyes, D. Dini, and E. R. Smith. Statistical analysis and molecular dynamics simulations of the thermal conductivity of lennard–jones solids including their pressure and temperature dependencies. physica status solidi (b), 257(10):2000344, 2020. (doi:https://doi.org/10.1002/pssb.202000344)
• E. R. Smith and C. Braga. Hydrodynamics across a fluctuating interface. The Journal of Chemical Physics, 153(13):134705, 2020. (doi:10.1063/5.0022530)
• E. R. Smith, E. Ramos-Fernandez, D. Trevelyan, C. O'Sullivan, D. M. Heyes and D. Dini CPL library - A computational framework for coupled molecular dynamics and computational fluid dynamics simulation (Software website cpl-library.org software DOI doi:10.5281/zenodo.56208) (2020) Journal Computational Physics Communications 250, 107068 , 2019. (REF summary)
• D. M. Heyes, E. R. Smith, and D. Dini. Shear stress relaxation and diffusion in simple liquids by molecular dynamics simulations: Analytic expressions and paths to viscosity. The Journal of Chemical Physics, 150(17):174504, 2019. (doi:10.1063/1.5095501)
• E. R. Smith, Peter Daivis and Billy Todd. Measuring Heat Flux Beyond Fourier's law J. Chem. Phys, 150, 064103 2019 (doi.org/10.1063/1.5079993)
• Panagiotis E. Theodorakis, Edward R. Smith, Richard V. Craster, Erich A. Müller, and Omar K. Matar. Molecular dynamics simulation of the superspreading of surfactant-laden droplets. a review. Fluids, 4(4), 2019. (doi:10.3390/fluids4040176)
• Panagiotis E. Theodorakis, Edward R. Smith, and Erich A. Müller. Spreading of aqueous droplets with common and superspreading surfactants. a molecular dynamics study. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 581:123810, 2019. (doi:https://doi.org/10.1016/j.colsurfa.2019.123810)
• Carlos Braga, E. R. Smith, Andreas Nold, David N Sibley, and Serafim Kalliadasis. The pressure tensor across a liquid-vapour interface. J. Chem. Phys 149, 044705, 2018. (doi/10.1063/1.5020991) (REF summary)
• D. M. Heyes, D. Dini, and E. R. Smith. Incremental viscosity by non-equilibrium molecular dynamics and the eyring model. The Journal of Chemical Physics, 148(19):194506, 2018. (doi:10.1063/1.5027681)
• E. R. Smith, Theodorakis P. E., Richard C. V., and Matar O. K. Moving contact lines: Linking molecular dynamics and continuum-scale modeling. Langmuir, 2018. (doi:10.1021/acs.langmuir.8b00466)
• Heyes D. M., Dini D., Smith E. R., and Branka A. C. Nanowire stretching by non-equilibrium molecular dynamics. physica status solidi (b), 254(12):1600861, 2017. (doi:10.1002/pssb.201600861)
• E. R. Smith, D. M. Heyes, and D. Dini. Towards the Irving-Kirkwood Limit of the Mechanical Stress Tensor. The Journal of Chemical Physics, 146:224109, 2017. (doi:10.1063/1.4984834)
• D. M. Heyes, D. Dini, and E. R. Smith. Equilibrium fluctuations of liquid state static properties in a subvolume by molecular dynamics. The Journal of Chemical Physics, 145(10):104504, 2016. (doi:10.1063/1.4962165)
• E. R. Smith, E. A. Müller, R. V. Craster, and O. K. Matar. A langevin model for fluctuating contact angle behaviour parametrised using molecular dynamics. Soft Matter, 12(48), 2016. (doi:10.1039/C6SM01980C) (REF summary)
• E. R. Smith. Cpl library. 2015. (doi:10.5281/zenodo.56208)
• E. R. Smith. A molecular dynamics simulation of the turbulent couette minimal flow unit. Physics of Fluids, 27(11):5105, 2015. (doi:10.1063/1.4935213) (REF summary)
• ER Smith, DM Heyes, D Dini, and TA Zaki. A localized momentum constraint for non-equilibrium molecular dynamics simulations . The Journal of chemical physics, 142(7):074110, 2015. (doi:10.1063/1.4907880) (REF summary)
• DM Heyes, ER Smith, D Dini, and TA Zaki. The method of planes pressure tensor for a spherical subvolume. The Journal of Chemical Physics, 140(5):054506, 2014. (doi:10.1063/1.4862915)
• E. R. Smith. On the coupling of molecular dynamics to continuum computational fluid dynamics. PhD thesis, Imperial College London, 2014.
• DM Heyes, ER Smith, D Dini, HA Spikes, and TA Zaki. Pressure dependence of confined liquid behavior subjected to boundary-driven shear. The Journal of Chemical Physics, 136(13):134705–134705, 2012. (doi:10.1063/1.3698601)
• ER Smith, DM Heyes, D Dini, and TA Zaki. Control-volume representation of molecular dynamics. Physical Review E, 85(5):056705, 2012. (doi:10.1103/PhysRevE.85.056705)
• DM Heyes, ER Smith, D Dini, and TA Zaki. The equivalence between volume averaging and method of planes definitions of the pressure tensor at a plane. The Journal of chemical physics, 135(2):024512, 2011. (doi:10.1063/1.3605692)

Organised Workshops

• Workshop on Special Interest Group on Non-Equilibrium Molecular Dynamics (2020) (Website)(Abstracts).
• Workshop on Continuous Integration on High Performance Computing (2017) (website).

Invited Lectures

• Plenary Lecture - Molecular Dynamics Modelling of Bubble Nucleation on Surfaces, Surface Wettability Effects on Phase Change Phenomena, Brighton University (2020) (slides) (video).
• Multiscale Fluid Dynamics with Molecules, University of East Anglia (2020) (slides).
• A Molecular Simulation of the Turbulent Minimal Channel Flow, Southampton University (2019) (slides).
• A Tutorial of Boiling Simulation using Coupled Molecular Dynamics and Computational Fluid Dynamics, Royal Society-DFID Africa Capacity Building Initiative, Imperial College London (2019) (MD part)(CFD part)(Hands On).
• Coupling Molecular Dynamics to the Continuum for Fluid Dynamics Simulation, Unimore, Modena (2019) (slides).
• Heatflux Beyond Fourier's Law, Swinburne University, (2019) (slides).
• Molecular Fluid Dynamics, University of Melbourne (2019) (slides).
• A Control Volume Study of Pressure Tensor Across a Liquid-Vapour Interface, CECAM Austria, (2017) (slides).
• Coupling Molecular Dynamics to Continuum Models for Fluid Mechanics, Aston University (2017) (slides).
• Direct Coupling of Computational Fluid Dynamics and Molecular Dynamics: Conservation, Computation and Timesteps First meeting of Multiscale and molecular flows special interest group, (2017) (slides).
• Towards an exact coupling of Continuum Fluid Dynamics and Molecular Dynamics Edinburgh University, (2016) (slides).
• Molecular Simulation of Turbulent Couette Flow Swinburne University, Australia (2014) (slides).
• The Control Volume for Molecular Dynamics RMIT University, Australia (2014) (slides).
• Linking the Continuous and the Discrete Cavendish Laboratory, Cambridge UK (2013) (slides).
• Continuum to Molecular Coupling for Fluid Mechanics ZCAM workshop, Spain (2011).

Conference Presentations

• Multiscale and molecular flows special interest group (2019) Lake District, UK (slides).
• Droplets (2019) Durham University, UK (slides).
• UKHTC (2019) Nottingham University, UK (slides).
• APS Division of Fluid Dynamics (2017) Denver, USA (slides).
• Software Sustainability Collaborations Workshop (2017) Leeds, UK (lecture).
• APS Division of Fluid Dynamics (2016) Oregon, USA (Bubbles slides) (Turbulence slides) (Contact Line slides).
• APS Division of Fluid Dynamics (2015) Boston, USA (slides).
• International Congress on Industrial and Applied Mathematics (2015) Beijing, China (slides).
• Computer Simulation of Confined Fluids (2014) the Shard London, UK (slides).
• APS Division of Fluid Dynamics (2014) San Francisco, USA (slides).
• CCP5-RSC Non-Equilibrium Molecular Dynamics workshop (2013) Imperial, UK (slides).
• HYBRID 2013 workshop (2013) Jülich supercomputing centre, Germany (slides).
• 21st International Discrete Simulation of Fluid Dynamics (2012) Bangalore, India (slides).
• Osborne Reynolds Award (2012) Southhampton, UK (slides) (prezi part).
• GMSI nano-scale summer camp in Seoul (2011), South Korea.

Other

• Fluid Mechanics Seminar Day, Brunel University London (slides) (video).
• Best Practice in Software Engineering, RSE session talk, Imperial College London (slides).

ORCID

This is my unique number, there are many other like it, but this one is mine:

https://orcid.org/0000-0002-7434-5912