Alessandro De Vita

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James KermodeReader, School of Engineering, University of WarwickEmail verificata su warwick.ac.uk
Klaus KernMax-Planck-Institute for Solid State Research and Ecole Polytechnique Fédérale de LausanneEmail verificata su fkf.mpg.de
Gabor CsanyiProfessor of Molecular Modelling, Engineering Laboratory, University of CambridgeEmail verificata su cam.ac.uk
schneider wdprofessor EPFL, LausanneEmail verificata su epfl.ch
jv barthProfessor of Physics & Chemistry, Technische Universität MünchenEmail verificata su tum.de
Annabella SelloniProfessor of Chemistry, Princeton UniversityEmail verificata su princeton.edu
Giulia GalliLiew Family Professor of Molecular Engineering, Professor of Chemistry,University of ChicagoEmail verificata su uchicago.edu
Andrew CanningLawrence Berkeley National Laboratory, University of California, DavisEmail verificata su lbl.gov
Gianpietro MorasFraunhofer Institute for Mechanics of Materials IWM, Freiburg (Germany)Email verificata su iwm.fraunhofer.de
Giancarlo TrimarchiThermo-Calc Software AB, Solna (Stockholm), SwedenEmail verificata su thermocalc.se
giovanni comelliUniversity of TriesteEmail verificata su elettra.eu
Ajayan PMProfessor of Materials Science and NanoEngineering, Rice UniversityEmail verificata su rice.edu
Nicola MarzariChair of Theory and Simulation of Materials, École Polytechnique Fédérale de Lausanne (EPFL)Email verificata su epfl.ch
David VanderbiltProfessor of Physics and Astronomy, Rutgers UniversityEmail verificata su physics.rutgers.edu
Prof. Dr. Silvia SchintkeProfessor of Nano & Microtechnology, Materials Engineering, HEIG-VD, University ofEmail verificata su heig-vd.ch
Florian KlappenbergerTechnische Universität MünchenEmail verificata su tum.de
Laurent LewisUniversité de MontréalEmail verificata su umontreal.ca
Filippo De AngelisUniversity of Perugia and Prince Mohammad Bin Fahd UniversityEmail verificata su thch.unipg.it

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Alessandro De Vita

King's College London

Email verificata su kcl.ac.uk - Home page

materials modelling Learning algorithms for molecular dynamics chemomechanical properties supramolecular self-assembly


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
Thermal contraction and disordering of the Al (110) surface N Marzari, D Vanderbilt, A De Vita, MC Payne Physical review letters 82 (16), 3296, 1999	982	1999
Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces Z Li, JR Kermode, A De Vita Physical review letters 114 (9), 096405, 2015	499	2015
Two-dimensional self-assembly of supramolecular clusters and chains M Böhringer, K Morgenstern, WD Schneider, R Berndt, F Mauri, A De Vita, ... Physical Review Letters 83 (2), 324, 1999	464	1999
Electronic structure and localized states at carbon nanotube tips DL Carroll, P Redlich, PM Ajayan, JC Charlier, X Blase, A De Vita, R Car Physical Review Letters 78 (14), 2811, 1997	455	1997
Insulator at the ultrathin limit: MgO on Ag (001) S Schintke, S Messerli, M Pivetta, F Patthey, L Libioulle, M Stengel, ... Physical Review Letters 87 (27), 276801, 2001	404	2001
DNA as a selective metallization template M Mertig, L Colombi Ciacchi, R Seidel, W Pompe, A De Vita Nano Letters 2 (8), 841-844, 2002	400	2002
Microscopic growth mechanisms for carbon nanotubes JC Charlier, A De Vita, X Blase, R Car Science 275 (5300), 647-649, 1997	342	1997
“Learn on the fly”: A hybrid classical and quantum-mechanical molecular dynamics simulation G Csányi, T Albaret, MC Payne, A De Vita Physical review letters 93 (17), 175503, 2004	320	2004
Theory of composite nanotube heterojunctions X Blase, JC Charlier, A De Vita, R Car Applied Physics Letters 70 (2), 197-199, 1997	309	1997
Bioactivity of TiN-coated titanium implants S Piscanec, LC Ciacchi, E Vesselli, G Comelli, O Sbaizero, S Meriani, ... Acta Materialia 52 (5), 1237-1245, 2004	262	2004
Structure of the (0001) surface of α-Al2O3 from first principles calculations I Manassidis, A De Vita, MJ Gillan Surface science 285 (3), L517-L521, 1993	240	1993
Mesoscopic correlation of supramolecular chirality in one-dimensional hydrogen-bonded assemblies J Weckesser, A De Vita, JV Barth, C Cai, K Kern Physical Review Letters 87 (9), 096101, 2001	235	2001
Stereochemical effects in supramolecular self-assembly at surfaces: 1-D versus 2-D enantiomorphic ordering for PVBA and PEBA on Ag (111) JV Barth, J Weckesser, G Trimarchi, M Vladimirova, A De Vita, C Cai, ... Journal of the American Chemical Society 124 (27), 7991-8000, 2002	233	2002
Low-speed fracture instabilities in a brittle crystal JR Kermode, T Albaret, D Sherman, N Bernstein, P Gumbsch, MC Payne, ... Nature 455 (7217), 1224-1227, 2008	221	2008
2D supramolecular assemblies of benzene-1, 3, 5-triyl-tribenzoic acid: Temperature-induced phase transformations and hierarchical organization with macrocyclic molecules M Ruben, D Payer, A Landa, A Comisso, C Gattinoni, N Lin, JP Collin, ... Journal of the American Chemical Society 128 (49), 15644-15651, 2006	221	2006
Frustration effects and microscopic growth mechanisms for BN nanotubes X Blase, A De Vita, JC Charlier, R Car Physical Review Letters 80 (8), 1666, 1998	205	1998
Accurate interatomic force fields via machine learning with covariant kernels A Glielmo, P Sollich, A De Vita Physical Review B 95 (21), 214302, 2017	183	2017
Structural and electronic properties of composite BxCyNz nanotubes and heterojunctions X Blase, JC Charlier, A De Vita, R Car Applied Physics A 68 (3), 293-300, 1999	177	1999
First-principles molecular-dynamics study of the (0001) surface GM Rignanese, A De Vita, JC Charlier, X Gonze, R Car Physical Review B 61 (19), 13250, 2000	162	2000
Tracking the chiral recognition of adsorbed dipeptides at the single‐molecule level M Lingenfelder, G Tomba, G Costantini, L Colombi Ciacchi, A De Vita, ... Angewandte Chemie International Edition 46 (24), 4492-4495, 2007	159	2007

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