Publications représentatives
How natural materials remove heavy metals from water: mechanistic insights from molecular dynamics simulations
F. Pietrucci, M. Boero, W. Andreoni
Published in Chemical Science 12, 2979 - 2985 (2021) in
Capture and Release of CO2 in Monoethanolamine Aqueous Solutions: New Insights from First-Principles Reaction Dynamics
C Ma, F Pietrucci, W Andreoni
Published in JCTC 11, 3189-3198 (2015) in
Graph theory meets ab initio molecular dynamics: atomic structures and transformations at the nanoscale
F Pietrucci, W Andreoni
Published in Physical review letters 107, 085504 (2011) in
Thiols and disulfides on the Au (111) surface: the headgroup− gold interaction
H Grönbeck, A Curioni, W Andreoni
Published in JACS 122 , 3839-3842 (2000)
in
The Chemistry of Water on Alumina Surfaces: Reaction Dynamics from First Principles
KC Hass, WF Schneider, A Curioni, W Andreoni
Published in Science 282, 265-268 (1998) in
Unconventional bonding of azafullerenes: Theory and experiment
W Andreoni, A Curioni, K Holczer, K Prassides, M Keshavarz-K, ... Journal of the American Chemical Society 118 (45), 11335-11336
Published in JACS 118, 11335-11336 (1996) in