Alessandro De Vita
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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
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
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
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
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
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
“Learn on the Fly”: A Hybrid Classical and Quantum-Mechanical<? format?> Molecular Dynamics Simulation
G Csányi, T Albaret, MC Payne, A De Vita
Physical review letters 93 (17), 175503, 2004
Microscopic growth mechanisms for carbon nanotubes
JC Charlier, A De Vita, X Blase, R Car
Science 275 (5300), 647-649, 1997
Theory of composite BxCyNz nanotube heterojunctions
X Blase, JC Charlier, A De Vita, R Car
Applied Physics Letters 70 (2), 197-199, 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
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
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
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
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
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
Accurate interatomic force fields via machine learning with covariant kernels
A Glielmo, P Sollich, A De Vita
Physical Review B 95 (21), 214302, 2017
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
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
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
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
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