Di Pasquale N.; Carbone P., Local and global dynamics of multi-resolved polymer chains: Effects of the interactions atoms-beads on the dynamic of the chains, «THE JOURNAL OF CHEMICAL PHYSICS», 2017, 146, Article number: 084905, pp. 084905 - 084905 [articolo]
Di Pasquale N.; Bane M.; Davie S.J.; Popelier P.L.A., FEREBUS: Highly parallelized engine for kriging training, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2016, 37, pp. 2606 - 2616 [articolo]
Davie S.J.; Di Pasquale N.; Popelier P.L.A., Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2016, 37, pp. 2409 - 2422 [articolo]
Davie S.J.; Di Pasquale N.; Popelier P.L.A., Kriging atomic properties with a variable number of inputs, «THE JOURNAL OF CHEMICAL PHYSICS», 2016, 145, Article number: 104104, pp. 104104 - 104104 [articolo]
Di Pasquale N.; Davie S.J.; Popelier P.L.A., Optimization Algorithms in Optimal Predictions of Atomistic Properties by Kriging, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2016, 12, pp. 1499 - 1513 [articolo]
Maxwell P.; di Pasquale N.; Cardamone S.; Popelier P.L.A., The prediction of topologically partitioned intra-atomic and inter-atomic energies by the machine learning method kriging, «THEORETICAL CHEMISTRY ACCOUNTS», 2016, 135, Article number: 195, pp. 195 - 195 [articolo]
Lavino A.D.; Di Pasquale N.; Carbone P.; Barresi A.A.; Marchisio D.L., Simulation of macromolecule self-assembly in solution: A multiscale approach, in: Polymer Processing with Resulting Morphology and Properties: Feet in the Present and Eyes at the Future. Proceedings of the GT70 International Conference. AIP Conf. Proc., 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA, AMER INST PHYSICS, 2015, 1695, pp. 020036-1 - 020036-8 (atti di: Polymer Processing with Resulting Morphology and Properties: Feet in the Present and Eyes at the Future. GT70 International Conference, Salerno (Italy), 15-17 October 2015) [Contributo in Atti di convegno]
Di Pasquale N.; Gowers R.J.; Carbone P., A multiple time step scheme for multiresolved models of Macromolecules, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2014, 35, pp. 1199 - 1207 [articolo]
Di Pasquale N.; Marchisio D.L.; Barresi A.A.; Carbone P., Solvent structuring and its effect on the polymer structure and processability: The case of water-acetone poly-ε-caprolactone mixtures, «THE JOURNAL OF PHYSICAL CHEMISTRY. B», 2014, 118, pp. 13258 - 13267 [articolo]
Di Pasquale N.; Marchisio D.L.; Carbone P.; Barresi A.A., Identification of nucleation rate parameters with MD and validation of the CFD model for polymer particle precipitation, «CHEMICAL ENGINEERING RESEARCH & DESIGN», 2013, 91, pp. 2275 - 2290 [articolo]
Di Pasquale N.; Marchisio D.; Carbone P., Mixing atoms and coarse-grained beads in modelling polymer melts, «THE JOURNAL OF CHEMICAL PHYSICS», 2012, 137, Article number: 164111, pp. 164111 - 164119 [articolo]
Di Pasquale N.; Marchisio D.L.; Barresi A.A., Model validation for precipitation in solvent-displacement processes, «CHEMICAL ENGINEERING SCIENCE», 2012, 84, pp. 671 - 683 [articolo]
