Nicodemo Di Pasquale

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Paola CarboneThe University of ManchesterDirección de correo verificada de manchester.ac.uk
Daniele MarchisioDISAT - Politecnico di TorinoDirección de correo verificada de polito.it
Paul PopelierProfessor of Chemical Theory and ComputationDirección de correo verificada de manchester.ac.uk
Stuart J DavieResearch Associate, University of ManchesterDirección de correo verificada de peak.bi
Matteo IcardiUniversity of Nottingham - School of Mathematical SciencesDirección de correo verificada de nottingham.ac.uk
Alessio Domenico LavinoEditor at Nature Chemical Engineering, London, UKDirección de correo verificada de springernature.com
Ruslan L DavidchackSchool of Computing and Mathematical Sciences, University of Leicester, UKDirección de correo verificada de leicester.ac.uk
Federico MunicchiResearch Associate, Colorado School of MinesDirección de correo verificada de mines.edu
Richard J GowersOpen Molecular Software FoundationDirección de correo verificada de omsf.io
Joshua D. ElliottDiamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot, Oxfordshire, UnitedDirección de correo verificada de diamond.ac.uk
Thomas HudsonWarwick Mathematics Institute, University of WarwickDirección de correo verificada de warwick.ac.uk
Matthew MillsAdvanced Data Science Specialist, 3MDirección de correo verificada de mmm.com
Hongbiao DongUniversity of LeicesterDirección de correo verificada de le.ac.uk
Marco DentzProfessor CSICDirección de correo verificada de csic.es
Panagiotis HadjidoukasUniversity of PatrasDirección de correo verificada de upatras.gr
Lorenzo RovigattiPhysics Department, Sapienza Università di RomaDirección de correo verificada de uniroma1.it
Matthäus U. BäblerKTH Royal Institute of TechnologyDirección de correo verificada de kth.se

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Nicodemo Di Pasquale

Professor of Chemical Engineering, University of Bologna

Dirección de correo verificada de unibo.it

Molecular Dynamics Computational Fluid Dynamics Interface Science Machine Learning Coarse


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
Model validation for precipitation in solvent-displacement processes N Di Pasquale, DL Marchisio, AA Barresi Chemical engineering science 84, 671-683, 2012	45	2012
Solvent structuring and its effect on the polymer structure and processability: The case of water–acetone poly-ε-caprolactone mixtures N Di Pasquale, DL Marchisio, AA Barresi, P Carbone The Journal of Physical Chemistry B 118 (46), 13258-13267, 2014	41	2014
Mixing atoms and coarse-grained beads in modelling polymer melts N Di Pasquale, D Marchisio, P Carbone The Journal of Chemical Physics 137 (16), 2012	29	2012
A novel multiscale model for the simulation of polymer flash nano-precipitation AD Lavino, N Di Pasquale, P Carbone, DL Marchisio Chemical Engineering Science 171, 485-494, 2017	28	2017
FEREBUS: Highly parallelized engine for kriging training N Di Pasquale, M Bane, SJ Davie, PLA Popelier Journal of Computational Chemistry 37 (29), 2606-2616, 2016	24	2016
Optimization algorithms in optimal predictions of atomistic properties by kriging N Di Pasquale, SJ Davie, PLA Popelier Journal of chemical theory and computation 12 (4), 1499-1513, 2016	24	2016
Identification of nucleation rate parameters with MD and validation of the CFD model for polymer particle precipitation N Di Pasquale, DL Marchisio, P Carbone, AA Barresi Chemical Engineering Research and Design 91 (11), 2275-2290, 2013	24	2013
The prediction of topologically partitioned intra-atomic and inter-atomic energies by the machine learning method kriging P Maxwell, N di Pasquale, S Cardamone, PLA Popelier Theoretical Chemistry Accounts 135, 1-19, 2016	22	2016
Geometry optimization with machine trained topological atoms F Zielinski, PI Maxwell, TL Fletcher, SJ Davie, N Di Pasquale, ... Scientific reports 7 (1), 12817, 2017	21	2017
Shuttleworth equation: A molecular simulations perspective N Di Pasquale, RL Davidchack The Journal of Chemical Physics 153 (15), 2020	17	2020
Systematic derivation of hybrid coarse-grained models N Di Pasquale, T Hudson, M Icardi Physical Review E 99 (1), 013303, 2019	16	2019
A multiple time step scheme for multiresolved models of Macromolecules N Di Pasquale, RJ Gowers, P Carbone Journal of Computational Chemistry 35 (16), 1199-1207, 2014	16	2014
Local and global dynamics of multi-resolved polymer chains: Effects of the interactions atoms-beads on the dynamic of the chains N Di Pasquale, P Carbone The Journal of chemical physics 146 (8), 2017	15	2017
Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer SJ Davie, N Di Pasquale, PLA Popelier Journal of computational chemistry 37 (27), 2409-2422, 2016	14	2016
Heterogeneous Multi-Rate mass transfer models in OpenFOAM® F Municchi, N Di Pasquale, M Dentz, M Icardi Computer Physics Communications 261, 107763, 2021	11	2021
Dynamically polarisable force-fields for surface simulations via multi-output classification Neural Networks N Di Pasquale, JD Elliott, P Hadjidoukas, P Carbone Journal of Chemical Theory and Computation 17 (7), 4477–4485, 2021	11	2021
Structural and mechanical properties of homogeneous solid-liquid interface of Al modelled with COMB3 potential R Yan, WZ Sun, SD Ma, RL Davidchack, N Di Pasquale, QJ Zhai, T Jing, ... Computational Materials Science 155, 136-143, 2018	11	2018
A different approach to dual-scale models RJ Gowers, P Carbone, N Di Pasquale Journal of Computational Physics 413, 109465, 2020	10	2020
Constant chemical potential–quantum mechanical–molecular dynamics simulations of the graphene–electrolyte double layer N Di Pasquale, AR Finney, JD Elliott, P Carbone, M Salvalaglio The Journal of Chemical Physics 158 (13), 2023	8	2023
The accuracy of ab initio calculations without ab initio calculations for charged systems: Kriging predictions of atomistic properties for ions in aqueous solutions N Di Pasquale, SJ Davie, PLA Popelier The Journal of chemical physics 148 (24), 2018	8	2018

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