1. Muhammad Rizwanur Rahman, Li Shen, James P. Ewen, Benjamin Collard, D. M. Heyes, Daniele Dini, and E. R. Smith. Non-equilibrium molecular simulations of thin film rupture. The Journal of Chemical Physics, (#JCP23-CM-00877R), 2023. (doi:10.48550/arXiv.2211.10358)
  2. Kaihang Shi, Edward R. Smith, Erik E. Santiso, and Keith E. Gubbins. A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges. The Journal of Chemical Physics, 158(4):040901, 2023. (doi:10.1063/5.0132487)
  3. Luca Maffioli, Edward R. Smith, James P. Ewen, Peter J. Daivis, Daniele Dini, and B. D. Todd. Slip and stress from low strain-rate nonequilibrium molecular dynamics: The transient-time correlation function technique, 2022.
  4. (
  5. Muhammad Rizwanur Rahman, Li Shen, James P. Ewen, Daniele Dini, and E. R. Smith. The intrinsic fragility of the liquid-vapour interface: A stress network perspective, 2022.
  6. (
  7. William Graham Hoover, Carol Griswold Hoover and Edward Ronald Smith. Nonequilibrium Time Reversibility with Maps and Walks Entropy , 24(1), 78, 2022; (
  8. E. R. Smith. The importance of reference frame for pressure at the liquid–vapour interface. Molecular Simulation, 48:1, 57-72, 2022. (doi:10.1080/08927022.2021.1953697)
  9. Alessio D. Lavino, Edward Smith, Mirco Magnini, and Omar K. Matar. Surface topography effects on pool boiling via non-equilibrium molecular dynamics simulations. Langmuir, 37(18):5731–5744, 2021. PMID: 33913329. (doi:10.1021/acs.langmuir.1c00779)
  10. Jun (文俊 ) Wen, Daniele Dini, Haibao (胡海豹 ) Hu, and E. R. Smith. Molecular droplets vs bubbles: Effect of curvature on surface tension and tolman length. Physics of Fluids, 33(7):072012, 2021. (doi:10.1063/5.0057401)
  11. Hanqiao Che, Catherine O'Sullivan, Adnan Sufian, and E. R. Smith. A novel cfd-dem coarse-graining method based on the voronoi tessellation. Powder Technology, 384:479–493, 2021. (doi:
  12. D. M. Heyes, D. Dini, and E. R. Smith. Viscuit and the fluctuation theorem investigation of shear viscosity by molecular dynamics simulations: The information and the noise. The Journal of Chemical Physics, 154(7):074503, 2021. (doi:10.1063/5.0040106)
  13. M. Kalderon, E. Smith, and C. O’Sullivan. Comparative analysis of porosity coarse-graining techniques for discrete element simulations of dense particulate systems. Computational Particle Mechanics, 2196-4386, 2021. (doi:10.1007/s40571-021-00402-4)
  14. 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)
  15. 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:
  16. 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)
  17. 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 software DOI doi:10.5281/zenodo.56208) (2020) Journal Computational Physics Communications 250, 107068 , 2019. (REF summary)
  18. Ewen J.P., Fernández E.R., Smith E.R., and Dini D. Nonequilibrium molecular dynamics simulations of tribological systems. Paggi M., Hills D. (eds) Modeling and Simulation of Tribological Problems in Technology. CISM International Centre for Mechanical Sciences (Courses and Lectures), 593(Springer), 2020. (doi:10.1007/978-3-030-20377-1_3)
  19. 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)
  20. E. R. Smith, Peter Daivis and Billy Todd. Measuring Heat Flux Beyond Fourier's law J. Chem. Phys, 150, 064103 2019 (
  21. Panagiotis E. Theodorakis, E. 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)
  22. Panagiotis E. Theodorakis, E. 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:
  23. 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)
  24. 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)
  25. 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)
  26. 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)
  27. 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)
  28. 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)
  29. 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)
  30. E. R. Smith. Cpl library. 2015. (doi:10.5281/zenodo.56208)
  31. 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)
  32. 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)
  33. 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)
  34. E. R. Smith. On the coupling of molecular dynamics to continuum computational fluid dynamics. PhD thesis, Imperial College London, 2014.
  35. 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)
  36. 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)
  37. 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)

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