Ursula Röthlisberger, Wanda Andreoni
The Journal of Chemical Physics
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.
Ursula Röthlisberger, Wanda Andreoni
The Journal of Chemical Physics
Salomon R. Billeter, Alessandro Curioni, et al.
Computational Materials Science
Henrik Grönbeck, Wanda Andreoni
Chemical Physics
Giovanni Onida, Wanda Andreoni
Chemical Physics Letters