CC054035_IFC_PUBLICITYJornal Articles:


  • V Erastova*K Ruengkajorn*, JC Buffet, HC Greenwell & D O’Hare, “Aqueous Immiscible Layered Double Hydroxides: Synthesis, Characterisation and Molecular Dynamics Simulation”, ChemComm (Referee recommended,  HOT ChemComm listCOVER by V Erastova)
  • S Tian, V Erastova, S Lu, HC Greenwell, T Underwood, H Xue, F Zeng, G Chen & C Wu.Understanding model crude oil component interactions at kaolinite silicate and aluminol surfaces: towards improved shale oil recovery”, Energy and Fuels


  • V Erastova, MT Degiacomi, DG Fraser & HC Greenwell. “Mineral Surface Chemistry Control for Origin of Prebiotic Peptides”, Nature Communications
  • V Erastova, MT Degiacomi, D O’Hare & HC Greenwell#. “Understanding Surface Interactions in Aqueous Miscible Organic Solvent Treated Layered Double Hydroxides” RSC Advances


  • T Underwood, V Erastova & HC Greenwell. “Clay adsorption at smectite clay mineral surface” Clays and Clay Minerals
  • V Erastova*, MT Degiacomi*, & MR Wilson. “Easy creation of polymeric systems for molecular dynamics with Assemble!” Computer Physics Communications
  • V Erastova*, B Grégoire*, DL Geatches, SJ Clark, HC Greenwell & DG Fraser. “Insights into the Behaviour of Biomolecules on the Early Earth: The Concentration of Aspartate by Layered Double Hydroxide Minerals” Geochimica et Cosmochimica Acta
  • T Underwood, V Erastova & HC Greenwell. “Wetting Effects and Molecular Adsorption at Hydrated Kaolinite Clay Mineral Surfaces” The Journal of Physical Chemistry C


  • T Underwood, V Erastova, P Cubillas and HC Greenwell. “Molecular Dynamic Simulations of Montmorillonite-Organic Interactions under Varying Salinity: An Insight into Enhanced Oil Recovery” The Journal of Physical Chemistry C


  • V Erastova, J Rodríguez-Otero, EM Cabaleiro-Lago & A Peña-Gallego (2011). “A computational study of the mechanism of the unimolecular elimination of α,β-unsaturated aldehydes in the gas phase”. Journal of Molecular Modeling

co-first and corresponding author


V Erastova,Molecular simulation studies of diesel and diesel additives, 2013 (under 5 year embargo)

Master’s Dissertation:

V Erastova, “An ab initio and DFT study of the mechanism of unimolecular elimination of α,β-unsaturated aldehydes”, 2008