DE VITA, ALESSANDRO
DE VITA, ALESSANDRO
Dipartimento di Ingegneria e Architettura
Settore ING-IND/22 - Scienza e Tecnologia dei Materiali
"Learn on the fly": a multiscale hybrid simulation method for material systems Psi-k Network Newsletter, No. 66, December 2004 p123.
2004-01-01 Gabor, Csanyi; T., Albaret; M. C., Payne; DE VITA, Alessandro
"Learn-on-the-fly'': a hybrid classical and quantum-mechanical molecular dynamics simulation
2004-01-01 Csanyi, G; Albaret, T; Payne, Mc; DE VITA, Alessandro
"Nucleation of platinum clusters on biopolymers: a first principles study of the molecular mechanism"
2003-01-01 L. C., Ciacchi; M., Mertig; R., Seidel; W., Pompe; DE VITA, Alessandro
2D Supramolecular Assemblies of Benzene 1,3,5-tri-yl Tribenzoic Acid: Temperature-Induced Phase Transformations and Hierarchical Organization with Macrocyclic Molecules
2006-01-01 M., Ruben; D., Payer; A., Landa; A., Comisso; C., Gattinoni; N., Lin; J. P., Collin; J. P., Sauvage; DE VITA, Alessandro; K., Kern
``A First Principles investigation of Ca2+ deposition on Rutile (110)''
2001-01-01 M., Svetina; L. C., Ciacchi; Sbaizero, Orfeo; S., Meriani; DE VITA, Alessandro
``DNA as a Selective Metallization Template"
2002-01-01 M., Mertig; L. C., Ciacchi; R., Seidel; W., Pompe; DE VITA, Alessandro
``Initial Nucleation of Platinum Clusters after Reduction of K2PtCl4 in Aqueous Solution: a First Principles Study''
2001-01-01 L. C., Ciacchi; W., Pompe; DE VITA, Alessandro
``Mesoscopic correlation of Supramolecular Chirality in One-Dimensional Hydrogen Bonded Assemblies”
2001-01-01 J., Weckesser; DE VITA, Alessandro; J. V., Barth; C., Cai; K., Kern
``One MgO Monolayer- an Insulator at the Ultrathin limit"
2001-01-01 S., Schintke; S., Messerli; F., Patthey; W. D., Schneider; M., Stengel; DE VITA, Alessandro
A first principles based polarizable O(N) interatomic force field for bulk silica
2010-01-01 Kermode, J. R.; Cereda, S.; Tangney, P.; DE VITA, Alessandro
A first principles investigation of the calcium ion deposition on rutile (110)
2001-01-01 1. M., Svetina; L., COLOMBI CIACCHI; Sbaizero, Orfeo; MERIANI MERLO, Sergio; DE VITA, Alessandro
A framework for machine-learning-augmented multiscale atomistic simulations on parallel supercomputers
2015-01-01 Caccin, Marco; Li, Zhenwei; Kermode, James R.; DE VITA, Alessandro
A long-range ordered array of copper tetrameric units embedded in an on-surface metal organic framework
2017-01-01 Lo Cicero, Matteo; Della Pia, Ada; Riello, Massimo; Colazzo, Luciano; Sedona, Francesco; Betti, Maria Grazia; Sambi, Mauro; De Vita, Alessandro; Mariani, Carlo
A microscopic model for surface-induced diamond-to-graphite transitions
1996-01-01 DE VITA, Alessandro; Giulia, Galli; Andrew, Canning; Roberto, Car
A novel molecular dynamics approach to large semiconductor systems
2006-01-01 G., Moras; G., Csanyi; M. C., Payne; DE VITA, Alessandro
A Novel Quantum/Classical Hybrid Simulation Technique
2005-01-01 C., Payne; G., Csnyi; T., Albaret; DE VITA, Alessandro
A spectroscopic and ab initio study of the formation of graphite and carbon nanotubes from thermal decomposition of silicon carbide
2008-01-01 Levita, Giacomo; Petaccia, L.; Comisso, A.; Lizzit, S.; Larciprete, R.; Goldoni, A.; DE VITA, Alessandro
Ab initio based multiscale modelling for materials science
2009-01-01 Makov, G.; Choudhury, R.; Gattinoni, C.; DE VITA, Alessandro
Accuracy of buffered-force QM/MM simulations of silica
2015-01-01 Peguiron, Anke; Colombi Ciacchi, Lucio; DE VITA, Alessandro; Kermode, James R; Moras, Gianpietro
Accurate interatomic force fields via machine learning with covariant kernels
2017-01-01 Glielmo, Aldo; Sollich, Peter; De Vita, Alessandro