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 | 789 | 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 | 675 | 1998 |
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 | 604 | 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 |
Mixed-precision in-memory computing M Le Gallo, A Sebastian, R Mathis, M Manica, H Giefers, T Tuma, C Bekas, ... Nature Electronics 1 (4), 246-253, 2018 | 415 | 2018 |
High-Resolution Molecular Orbital Imaging Using a -Wave STM Tip L Gross, N Moll, F Mohn, A Curioni, G Meyer, F Hanke, M Persson Physical Review Letters 107 (8), 086101, 2011 | 361 | 2011 |
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 | 353 | 2001 |
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 | 274 | 2000 |
Solid-state electrolytes: revealing the mechanisms of Li-ion conduction in tetragonal and cubic LLZO by first-principles calculations K Meier, T Laino, A Curioni The Journal of Physical Chemistry C 118 (13), 6668-6679, 2014 | 237 | 2014 |
New advances in chemistry and materials science with CPMD and parallel computing W Andreoni, A Curioni Parallel Computing 26 (7-8), 819-842, 2000 | 227 | 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 |
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 | 224 | 2003 |
Overview of the IBM Blue Gene/P project IBMBG Team IBM Journal of Research and Development 52 (1/2), 199-220, 2008 | 219* | 2008 |
The mechanisms underlying the enhanced resolution of atomic force microscopy with functionalized tips N Moll, L Gross, F Mohn, A Curioni, G Meyer New Journal of Physics 12 (12), 125020, 2010 | 195 | 2010 |
Billion vortex particle direct numerical simulations of aircraft wakes P Chatelain, A Curioni, M Bergdorf, D Rossinelli, W Andreoni, ... Computer Methods in Applied Mechanics and Engineering 197 (13-16), 1296-1304, 2008 | 189 | 2008 |
An extreme-scale implicit solver for complex PDEs: highly heterogeneous flow in earth's mantle J Rudi, ACI Malossi, T Isaac, G Stadler, M Gurnis, PWJ Staar, Y Ineichen, ... Proceedings of the international conference for high performance computing …, 2015 | 172 | 2015 |
Lithium–aluminum contacts for organic light-emitting devices EI Haskal, A Curioni, PF Seidler, W Andreoni Applied physics letters 71 (9), 1151-1153, 1997 | 162 | 1997 |
Metal−Alq3 Complexes: The Nature of the Chemical Bonding A Curioni, W Andreoni Journal of the American Chemical Society 121 (36), 8216-8220, 1999 | 154 | 1999 |
Car–Parrinello molecular dynamics on massively parallel computers J Hutter, A Curioni ChemPhysChem 6 (9), 1788-1793, 2005 | 143 | 2005 |
Density functional theory approach to thiols and disulfides on gold: Au (111) surface and clusters W Andreoni, A Curioni, H Grönbeck International Journal of Quantum Chemistry 80 (4‐5), 598-608, 2000 | 143 | 2000 |