An efficient linear-scaling electrostatic coupling for treating periodic boundary conditions in QM/MM simulations
A new linear-scaling method based on a multigrid approach to treat long-range electrostatic
interactions in hybrid quantum mechanics/molecular mechanics (QM/MM) simulations is …
interactions in hybrid quantum mechanics/molecular mechanics (QM/MM) simulations is …
A QUICKSTEP-based quantum mechanics/molecular mechanics approach for silica
Quantum mechanics/molecular mechanics (QM/MM) approaches are currently used to
describe several properties of silica-based systems, which are local in nature and require a …
describe several properties of silica-based systems, which are local in nature and require a …
Cesare Pisani: a life in science
R Dovesi - Journal of Physics: Conference Series, 2008 - search.proquest.com
In 1968, when I was a third-year undergraduate student, I started to attend lectures and
seminars at the Laboratory directed by prof. Franco Ricca, whose main activity was the …
seminars at the Laboratory directed by prof. Franco Ricca, whose main activity was the …