50 citations · 66 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2010★ 50 cited
Nuclear quantum effects in ab initio dynamics: theory and experiments for lithium imide
Michele Ceriotti, Giacomo Miceli, Antonino Pietropaolo +5
Owing to their small mass, hydrogen atoms exhibit strong quantum behavior even at room temperature. Including these effects in first principles calculations is challenging, because…
cond-mat.mtrl-sci2010★ 16 cited
Static disorder and structural correlations in the low temperature phase of lithium imide
Giacomo Miceli, Michele Ceriotti, Marco Bernasconi +1
Based on ab-initio molecular dynamics simulations, we investigate the low temperature crystal structure of Li2NH which in spite of its great interest as H-storage material is still…