Jordi Ribas-Ariño, Alessandro Curioni, et al.
Journal of Physical Chemistry A
We show that new aspects of the physics of microclusters can be investigated accurately with ab initio molecular dynamics. We present results on a number of properties of SiN aggregates (N up to 10) at both zero and finite temperatures. The results of dynamical simulated annealing for the ground state point to a complex growth sequence. Simulations at finite temperatures show the existence of two regimes, solidlike and liquidlike, with substantially different electronic and structural properties. © 1988 The American Physical Society.
Jordi Ribas-Ariño, Alessandro Curioni, et al.
Journal of Physical Chemistry A
Wanda Andreoni, Alessandro Curioni, et al.
International Journal of Quantum Chemistry
Wanda Andreoni, Giulia Galli
Physical Review Letters
Lindsey J. Munro, Alessandro Curioni, et al.
Journal of Agricultural and Food Chemistry