Journal Articles:
- SJ Goldie, MT Degiacomi, S Jiang, SJ Clark, V Erastova✉, KS Coleman, “Identification of Graphene Dispersion Agents through Molecular Fingerprints” ACS Nano (2022)
- S Tian, Z Dong, B Liu, H Xue, V Erastova, M Wang, H Yan, “Characteristics of Gaseous/Liquid Hydrocarbon Adsorption Based on Numerical Simulation and Experimental Testing“
Molecules 27, 4590(2022)
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MT Degiacomi, S Tian, HC Greenwell & V Erastova✉, “DynDen: Assessing convergence of molecular dynamics simulations of interfaces” Computer Physics Communications, 269 (2021)
- S Tian, L Bowen, B Liu, F Zeng, H Xue, V Erastova, HC Greenwell, Z Dong, R Zhao & J Liu, “A method for automatic shale porosity quantification using an Edge-Threshold Automatic Processing (ETAP) technique” Fuel, 304 (2021)
- M Preiner, S Asche, S Becker, HC Betts, A Boniface, E Camprubi, K Chandru, V Erastova, SG Garg, N Khawaja, G Kostyrka, R Machné, G Moggioli, KB Muchowska, S Neukirchen, B Peter, E Pichlhöfer, Á Radványi, D Rossetto, A Salditt, NM Schmelling, FL Sousa, FDK Tria, D Vörös & JC Xavier. “The Future of Origin of Life Research: Bridging Decades-Old Divisions” Life, 10.3 (2020)
- V Erastova*✉, K Ruengkajorn*, JC Buffet, HC Greenwell & D O’Hare. “Aqueous Immiscible Layered Double Hydroxides: Synthesis, Characterisation and Molecular Dynamics Simulation” Chemical Communications, 54.35 (2018)
Referee recommended, HOT ChemComm list, COVER 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 & Fuels, 32.2 (2018)
- V Erastova✉, MT Degiacomi, DG Fraser & HC Greenwell. “Mineral Surface Chemistry Control for Origin of Prebiotic Peptides” Nature Communications, 8 (2017)
- V Erastova✉, MT Degiacomi, D O’Hare & HC Greenwell. “Understanding Surface Interactions in Aqueous Miscible Organic Solvent Treated Layered Double Hydroxides” RSC Advances, 7.9 (2017)
- T Underwood, V Erastova & HC Greenwell. “Ion adsorption at clay-mineral surfaces: the Hofmeister series for hydrated smectite minerals” Clays and Clay Minerals, 64.4 (2016)
- V Erastova✉, MT Degiacomi & MR Wilson. “Easy creation of polymeric systems for molecular dynamics with Assemble!.” Computer Physics Communications, 202 (2016)
- 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, 176 (2016)
- T Underwood, V Erastova & HC Greenwell. “Wetting Effects and Molecular Adsorption at Hydrated Kaolinite Clay Mineral Surfaces” The Journal of Physical Chemistry C, 120.21 (2016)
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T Underwood, V Erastova, P Cubillas and HC Greenwell. “Molecular Dynamics Simulations of Montmorillonite-Organic Interactions under Varying Salinity: An Insight into Enhanced Oil Recovery” The Journal of Physical Chemistry C, 119.13 (2015)
- V Erastova, J Rodríguez-Otero, EM Cabaleiro-Lago & A Peña-Gallego. “A computational study of the mechanism of the unimolecular elimination of α,β-unsaturated aldehydes in the gas phase”. Journal of Molecular Modeling (2011)
*co-first and ✉corresponding author
Thesis:
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
Media:
- Comment for Chemistry World News “Computer says no to membrane-bound life on Titan“, by
- Interview on RT ‘How did life form from rocks?’ Protein puzzle reveals secrets of Earth’s evolution (2018)
- Interview on Radio Cardiff Science and Technology Show Pythagoras‘ Trousers (2015)
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NOBELini, interview as the Selected Scientist, at Medical Research Council and Central Saint Martins, UK (2009)