Valentina Erastova
Cited by
Cited by
Molecular dynamic simulations of montmorillonite–organic interactions under varying salinity: an insight into enhanced oil recovery
T Underwood, V Erastova, P Cubillas, HC Greenwell
The Journal of Physical Chemistry C 119 (13), 7282-7294, 2015
The future of origin of life research: bridging decades-old divisions
M Preiner, S Asche, S Becker, HC Betts, A Boniface, E Camprubi, ...
Life 10 (3), 20, 2020
Mineral Surface Chemistry Control for Origin of Prebiotic Peptides
V Erastova, MT Degiacomi, DG Fraser, HC Greenwell
Nature Communications, 2017
Wetting effects and molecular adsorption at hydrated kaolinite clay mineral surfaces
T Underwood, V Erastova, HC Greenwell
The Journal of Physical Chemistry C 120 (21), 11433-11449, 2016
Understanding model crude oil component interactions on kaolinite silicate and aluminol surfaces: Toward improved understanding of shale oil recovery
S Tian, V Erastova, S Lu, HC Greenwell, TR Underwood, H Xue, F Zeng, ...
Energy & fuels 32 (2), 1155-1165, 2018
Ion adsorption at clay-mineral surfaces: the Hofmeister series for hydrated smectite minerals
T Underwood, V Erastova, HC Greenwell
Clays and Clay Minerals 64 (4), 472-487, 2016
A Method for Automatic Shale Porosity Quantification Using an Edge-Threshold Automatic Processing (ETAP) Technique
JL , Shansi Tian, Leon Bowen, Bo Liu, Fang Zeng, Haitao Xue, Valentina ...
Fuel 304 (121319), 2021
Easy creation of polymeric systems for molecular dynamics with Assemble!
MT Degiacomi, V Erastova, MR Wilson
Computer Physics Communications 202, 304-309, 2016
Insights into the behaviour of biomolecules on the early Earth: The concentration of aspartate by layered double hydroxide minerals
B Gregoire, V Erastova, DL Geatches, SJ Clark, HC Greenwell, DG Fraser
Geochimica et Cosmochimica Acta 176, 239-258, 2016
Understanding surface interactions in aqueous miscible organic solvent treated layered double hydroxides
V Erastova, MT Degiacomi, D O'Hare, HC Greenwell
RSC advances 7 (9), 5076-5083, 2017
Aqueous immiscible layered double hydroxides: synthesis, characterisation and molecular dynamics simulation
K Ruengkajorn, V Erastova, JC Buffet, HC Greenwell, D O'Hare
Chemical communications 54 (35), 4394-4397, 2018
Identification of Graphene Dispersion Agents through Molecular Fingerprints
SJ Goldie, MT Degiacomi, S Jiang, SJ Clark, V Erastova, KS Coleman
ACS nano 16 (10), 16109-16117, 2022
A computational study of the mechanism of the unimolecular elimination of α,β-unsaturated aldehydes in the gas phase
V Erastova, J Rodríguez-Otero, EM Cabaleiro-Lago, Á Peńa-Gallego
Journal of molecular modeling 17, 21-26, 2011
Course materials for an introduction to data-driven chemistry
J Cumby, MT Degiacomi, V Erastova, JJ Güven, CL Hobday, AS js Mey, ...
Journal of Open Source Education 6 (63), 192, 2023
Molecular Simulation Studies of Diesel and Diesel Additives
V Erastova
Durham University, 2013
Biochars at the molecular level. Part 1--Insights into the molecular structures within biochars
R Wood, O Masek, V Erastova
arXiv preprint arXiv:2303.09661, 2023
Characteristics of gaseous/liquid hydrocarbon adsorption based on numerical simulation and experimental testing
S Tian, Z Dong, B Liu, H Xue, V Erastova, M Wang, H Yan
Molecules 27 (14), 4590, 2022
DynDen: Assessing convergence of molecular dynamics simulations of interfaces
MT Degiacomi, S Tian, HC Greenwell, V Erastova
Computer Physics Communications 269, 108126, 2021
Biochars at the molecular level. Part 2--Development of realistic molecular models of biochars
R Wood, O Masek, V Erastova
arXiv preprint arXiv:2303.09907, 2023
Development of biochar molecular models with controlled porosity
A Ngambia, O Mašek, V Erastova
Biomass and Bioenergy 184, 107199, 2024
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