The formation of carbonaceous and silicate precursor molecules to astrophysical dust grains is investigated. Using density functional theory (DFT) in combination with global optimization techniques, the ground-state binding energies of dust precursors are determined. These results are employed in atomistic nucleation theory (ANT) to predict the critical size and nucleation...
The binding energies of n < 100 carbon clusters are calculated using the ab initio density functional theory code
Quantum Espresso. Carbon cluster geometries are determined using several levels of classical techniques and further
refined using density functional theory. The resulting energies are used to compute the work of cluster...