11 citations · 11 across the 1 of their papers we have counts for
2 papers
physics.chem-ph2020
Reactive molecular dynamics at constant pressure via non-reactive force fields: extending the Empirical Valence Bond method to the isothermal-isobaric ensemble
Ivan Scivetti, Kakali Sen, Alin M. Elena +1
The Empirical Valence Bond (EVB) method offers a suitable framework to obtain reactive potentials through the coupling of non-reactive force fields. However, most of the implemente…
cond-mat.mtrl-sci2008★ 11 cited
Effect of quantization of vibrations on the structural properties of crystals
I. Scivetti, N. I. Gidopoulos, J. Kohanoff
We study the structural effects produced by the quantization of vibrational degrees of freedom in periodic crystals at zero temperature. To this end we introduce a methodology base…