| Thiols and disulfides on the Au (111) surface: the headgroup− gold interaction H Grönbeck, A Curioni, W Andreoni Journal of the American Chemical Society 122 (16), 3839-3842, 2000 | 800 | 2000 |
| The chemistry of water on alumina surfaces: Reaction dynamics from first principles KC Hass, WF Schneider, A Curioni, W Andreoni science 282 (5387), 265-268, 1998 | 687 | 1998 |
| Melting of small gold particles: Mechanism and size effects F Ercolessi, W Andreoni, E Tosatti Physical Review Letters 66 (7), 911, 1991 | 626 | 1991 |
| N-type organic thin-film transistor with high field-effect mobility based on a N, N′-dialkyl-3, 4, 9, 10-perylene tetracarboxylic diimide derivative PRL Malenfant, CD Dimitrakopoulos, JD Gelorme, LL Kosbar, TO Graham, ... Applied Physics Letters 80 (14), 2517-2519, 2002 | 606 | 2002 |
| Alq3: ab initio calculations of its structural and electronic properties in neutral and charged states A Curioni, M Boero, W Andreoni Chemical Physics Letters 294 (4-5), 263-271, 1998 | 445 | 1998 |
| Structural and electronic properties of sodium microclusters (n=2–20) at low and high temperatures: New insights from ab initio molecular dynamics studies U Röthlisberger, W Andreoni The Journal of chemical physics 94 (12), 8129-8151, 1991 | 424 | 1991 |
| Equilibrium structures and finite temperature properties of silicon microclusters from ab initio molecular-dynamics calculations P Ballone, W Andreoni, R Car, M Parrinello Physical review letters 60 (4), 271, 1988 | 401 | 1988 |
| Structure of nanoscale silicon clusters U Röthlisberger, W Andreoni, M Parrinello Physical review letters 72 (5), 665, 1994 | 385 | 1994 |
| Ab initio calculations of the quasiparticle and absorption spectra of clusters: the sodium tetramer G Onida, L Reining, RW Godby, R Del Sole, W Andreoni Physical review letters 75 (5), 818, 1995 | 360 | 1995 |
| Blue Gene: A vision for protein science using a petaflop supercomputer F Allen, G Almasi, W Andreoni, D Beece, BJ Berne, A Bright, J Brunheroto, ... IBM systems journal 40 (2), 310-327, 2001 | 354 | 2001 |
| First-principles calculations of self-diffusion constants in silicon PE Blöchl, E Smargiassi, R Car, DB Laks, W Andreoni, ST Pantelides Physical review letters 70 (16), 2435, 1993 | 341 | 1993 |
| First-Principles Molecular Dynamics Simulations of H2O on α-Al2O3 (0001) KC Hass, WF Schneider, A Curioni, W Andreoni The Journal of Physical Chemistry B 104 (23), 5527-5540, 2000 | 277 | 2000 |
| Structural and electronic properties of La@ C82 K Laasonen, W Andreoni, M Parrinello Science 258 (5090), 1916-1918, 1992 | 254 | 1992 |
| Efficient linear scaling geometry optimization and transition-state search for direct wavefunction optimization schemes in density functional theory using a plane-wave basis SR Billeter, A Curioni, W Andreoni Computational materials science 27 (4), 437-445, 2003 | 230 | 2003 |
| New advances in chemistry and materials science with CPMD and parallel computing W Andreoni, A Curioni Parallel Computing 26 (7-8), 819-842, 2000 | 228 | 2000 |
| Atom-resolved electronic spectra for Alq3 from theory and experiment A Curioni, W Andreoni, R Treusch, FJ Himpsel, E Haskal, P Seidler, ... Applied physics letters 72 (13), 1575-1577, 1998 | 226 | 1998 |
| Impurity states in doped fullerenes: C59B and C59N W Andreoni, F Gygi, M Parrinello Chemical physics letters 190 (3-4), 159-162, 1992 | 215 | 1992 |
| Gold and platinum microclusters and their anions: comparison of structural and electronic properties H Grönbeck, W Andreoni Chemical Physics 262 (1), 1-14, 2000 | 201 | 2000 |
| Key Steps of the cis-Platin-DNA Interaction: Density Functional Theory-Based Molecular Dynamics Simulations P Carloni, M Sprik, W Andreoni The Journal of Physical Chemistry B 104 (4), 823-835, 2000 | 194 | 2000 |
| Structural, electronic, and vibrational properties of Si(111)-2×1 from ab initio molecular dynamics F Ancilotto, W Andreoni, A Selloni, R Car, M Parrinello Physical review letters 65 (25), 3148, 1990 | 194 | 1990 |
Alessandro CurioniIBM Fellow - VP Europe & Africa and Director - IBM Research ZurichVerified email at zurich.ibm.com
