Nicodemo Di Pasquale
Nicodemo Di Pasquale
Professor of Chemical Engineering, University of Bologna
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Cited by
Cited by
Model validation for precipitation in solvent-displacement processes
N Di Pasquale, DL Marchisio, AA Barresi
Chemical engineering science 84, 671-683, 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
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
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
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
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
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
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
Geometry optimization with machine trained topological atoms
F Zielinski, PI Maxwell, TL Fletcher, SJ Davie, N Di Pasquale, ...
Scientific reports 7 (1), 12817, 2017
Systematic derivation of hybrid coarse-grained models
N Di Pasquale, T Hudson, M Icardi
Physical Review E 99 (1), 013303, 2019
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
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
Shuttleworth equation: A molecular simulations perspective
N Di Pasquale, RL Davidchack
The Journal of Chemical Physics 153 (15), 2020
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
Heterogeneous Multi-Rate mass transfer models in OpenFOAM®
F Municchi, N Di Pasquale, M Dentz, M Icardi
Computer Physics Communications 261, 107763, 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
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
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
A different approach to dual-scale models
RJ Gowers, P Carbone, N Di Pasquale
Journal of Computational Physics 413, 109465, 2020
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
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