DI PASQUALE, NICODEMO

DI PASQUALE, NICODEMO  

DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"  

Docenti di ruolo di IIa fascia  

Mostra records
Risultati 1 - 20 di 27 (tempo di esecuzione: 0.046 secondi).
Titolo Autore(i) Anno Periodico Editore Tipo File
CLEAVING: a LAMMPS package to compute surface free energies Di Pasquale, Nicodemo; Davidchack, Ruslan; Rovigatti, Lorenzo 2024-01-01 JOURNAL OF OPEN SOURCE SOFTWARE - 1.01 Articolo in rivista 10.21105.joss.05886.pdf
A systematic analysis of the memory term in coarse-grained models: The case of the Markovian approximation Di Pasquale N.; Hudson T.; Icardi M.; Rovigatti L.; Spinaci M. 2023-01-01 EUROPEAN JOURNAL OF APPLIED MATHEMATICS - 1.01 Articolo in rivista a-systematic-analysis-of-the-memory-term-in-coarse-grained-models-the-case-of-the-markovian-approximation.pdf
Constant chemical potential-quantum mechanical-molecular dynamics simulations of the graphene-electrolyte double layer Di Pasquale N.; Finney A.R.; Elliott J.D.; Carbone P.; Salvalaglio M. 2023-01-01 JOURNAL OF CHEMICAL PHYSICS ONLINE - 1.01 Articolo in rivista main (1).pdfSI.pdf
Population Balance Models for Particulate Flows in Porous Media: Breakage and Shear-Induced Events Icardi M.; Di Pasquale N.; Crevacore E.; Marchisio D.; Babler M.U. 2023-01-01 TRANSPORT IN POROUS MEDIA - 1.01 Articolo in rivista s11242-022-01793-5.pdf
Cleaving Method for Molecular Crystals and Its Application to Calculation of the Surface Free Energy of Crystalline β-d-Mannitol at Room Temperature Di Pasquale N.; Davidchack R.L. 2022-01-01 THE JOURNAL OF PHYSICAL CHEMISTRY. A. - 1.01 Articolo in rivista -
Dynamically Polarizable Force Fields for Surface Simulations via Multi-output Classification Neural Networks Di Pasquale, Nicodemo; Elliott, Joshua D.; Hadjidoukas, Panagiotis; Carbone, Paola 2021-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista Dynamically_postprint.pdf
Heterogeneous Multi-Rate mass transfer models in OPENFOAM® Municchi F.; Di Pasquale N.; Dentz M.; Icardi M. 2021-01-01 COMPUTER PHYSICS COMMUNICATIONS - 1.01 Articolo in rivista heterogenous_2.pdf
A different approach to dual-scale models Gowers R.J.; Carbone P.; Di Pasquale N. 2020-01-01 JOURNAL OF COMPUTATIONAL PHYSICS - 1.01 Articolo in rivista -
Numerical simulation of crust freezing in processed meat: A fully coupled solid–fluid approach Greiciunas E.; Municchi F.; Di Pasquale N.; Icardi M. 2020-01-01 NUMERICAL HEAT TRANSFER PART A-APPLICATIONS - 1.01 Articolo in rivista -
Shuttleworth equation: A molecular simulations perspective Di Pasquale N.; Davidchack R.L. 2020-01-01 JOURNAL OF CHEMICAL PHYSICS ONLINE - 1.01 Articolo in rivista -
Systematic derivation of hybrid coarse-grained models Di Pasquale N.; Hudson T.; Icardi M. 2019-01-01 PHYSICAL REVIEW. E - 1.01 Articolo in rivista -
Structural and mechanical properties of homogeneous solid-liquid interface of Al modelled with COMB3 potential Yan R.; Sun W.Z.; Ma S.D.; Davidchack R.L.; Di Pasquale N.; Zhai Q.J.; Jing T.; Dong H.B. 2018-01-01 COMPUTATIONAL MATERIALS SCIENCE - 1.01 Articolo in rivista -
The accuracy of ab initio calculations without ab initio calculations for charged systems: Kriging predictions of atomistic properties for ions in aqueous solutions Di Pasquale N.; Davie S.J.; Popelier P.L.A. 2018-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista -
A novel multiscale model for the simulation of polymer flash nano-precipitation Lavino A.D.; Di Pasquale N.; Carbone P.; Marchisio D.L. 2017-01-01 CHEMICAL ENGINEERING SCIENCE - 1.01 Articolo in rivista -
Geometry Optimization with Machine Trained Topological Atoms Zielinski F.; Maxwell P.I.; Fletcher T.L.; Davie S.J.; Di Pasquale N.; Cardamone S.; Mills M.J.L....; Popelier P.L.A. 2017-01-01 SCIENTIFIC REPORTS - 1.01 Articolo in rivista -
Local and global dynamics of multi-resolved polymer chains: Effects of the interactions atoms-beads on the dynamic of the chains Di Pasquale N.; Carbone P. 2017-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista -
FEREBUS: Highly parallelized engine for kriging training Di Pasquale N.; Bane M.; Davie S.J.; Popelier P.L.A. 2016-01-01 JOURNAL OF COMPUTATIONAL CHEMISTRY - 1.01 Articolo in rivista -
Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer Davie S.J.; Di Pasquale N.; Popelier P.L.A. 2016-01-01 JOURNAL OF COMPUTATIONAL CHEMISTRY - 1.01 Articolo in rivista -
Kriging atomic properties with a variable number of inputs Davie S.J.; Di Pasquale N.; Popelier P.L.A. 2016-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista -
Optimization Algorithms in Optimal Predictions of Atomistic Properties by Kriging Di Pasquale N.; Davie S.J.; Popelier P.L.A. 2016-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista -