Alessandro De Vita

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

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Alessandro De Vita

King's College London

Dirección de correo verificada de kcl.ac.uk - Página principal

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


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
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	1069	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	562	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	472	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	463	1997
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	410	2002
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	410	2001
Microscopic growth mechanisms for carbon nanotubes JC Charlier, A De Vita, X Blase, R Car Science 275 (5300), 647-649, 1997	351	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	337	2004
Theory of composite nanotube heterojunctions X Blase, JC Charlier, A De Vita, R Car Applied Physics Letters 70 (2), 197-199, 1997	314	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	266	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	249	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	236	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	234	2002
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	232	2006
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	229	2008
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	204	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	201	2017
Structural and electronic properties of composite BxCyNz nanotubes and heterojunctions X Blase, JC Charlier, A De Vita, R Car Applied Physics A 68, 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	164	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	161	2007

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