Imperial College London

Dr Silvia Di Lecce

Faculty of Natural SciencesDepartment of Chemistry

Research Associate in computer simulations of nano frictions



silvia.di-lecce Website




109Molecular Sciences Research HubWhite City Campus








Research Associate

Computational Chemical Physics group, Department of Chemistry, Imperial College London, United Kingdom


Research Associate

Molecular Systems Engineering group, Department of Chemical Engineering,

Imperial College London, United Kingdom


PhD student in Chemical Physics

Department of Chemistry, Imperial College London, United Kingdom

Thesis: Molecular simulations of thermodiffusion and thermoelectric effects in aqueous solutions


Master’s degree Nanotechnology Engineering

La Sapienza University of Rome, Italy

Thesis: Analysis of the stability of oil water interface under the influence of a strong electric field



Bachelor’s degree Clinical and Biomedical Engineering

La Sapienza University of Rome, Italy
Thesis: Microdosimetrics analysis of ultrashort pulsed of electric fields: study of the poration efficiency of waveforms
Inter-University Centre for Electromagnetic Fields and Biosystems, La Sapienza University of Rome

Selected Publications

Journal Articles

Di Lecce S, Kornyshev AA, Urbakh M, et al., 2020, Lateral ordering in nanoscale ionic liquid films between charged surfaces enhances lubricity., ACS Nano, Vol:14, ISSN:1936-0851, Pages:13256-13267

Fajardo OY, Di Lecce S, Bresme F, 2020, Molecular dynamics simulation of imidazolium CnMIM-BF4 ionic liquids using a coarse grained force-field., Physical Chemistry Chemical Physics, Vol:22, ISSN:1463-9076, Pages:1682-1692

Di Lecce S, Galindo A, Khalit SH, et al., 2019, Modelling and prediction of the thermophysical properties of aqueous mixtures of Choline Geranate and Geranic acid (CAGE) using SAFT-g Mie, RSC Advances, Vol:9, ISSN:2046-2069, Pages:38017-38031

Di Lecce S, Bresme F, 2019, Soret coefficients and thermal conductivities of alkali halide aqueous solutions via non-equilibrium molecular dynamics simulations, Molecular Simulation, Vol:45, ISSN:0892-7022, Pages:351-357

Di Lecce S, Bresme F, 2018, Thermal polarization of water Influences the thermoelectric response of aqueous solutions, The Journal of Physical Chemistry. B, Vol:122, ISSN:1520-5207, Pages:1662-1668

Niether D, Di Lecce S, Bresme F, et al., 2017, Unravelling the hydrophobicity of urea in water using thermodiffusion: implications for protein denaturation., Physical Chemistry Chemical Physics, Vol:20, ISSN:1463-9076, Pages:1012-1020

Di Lecce S, Albrecht T, Bresme F, 2017, A computational approach to calculate the heat of transport of aqueous solutions, Scientific Reports, Vol:7, ISSN:2045-2322

Di Lecce S, Albrecht T, Bresme F, 2017, The role of ion-water interactions in determining the Soret coefficient of LiCl aqueous solutions, Physical Chemistry Chemical Physics, Vol:19, ISSN:1463-9076, Pages:9575-9583

More Publications