161 citations · 1k across the 54 of their papers we have counts for
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Electrostatic engineering of strained ferroelectric perovskites from first-principles
Claudio Cazorla, Massimiliano Stengel
Design of novel artificial materials based on ferroelectric perovskites relies on the basic principles of electrostatic coupling and in-plane lattice matching. These rules state th…
First-principles modeling of three-body interactions in highly compressed solid helium
Claudio Cazorla, Jordi Boronat
We present a new set of three-body interaction models based on the Bruch-McGee (BM) potential that are suitable for the study of the energy, structural and elastic properties of so…
In the search of new electrocaloric materials: Fast ion conductors
Claudio Cazorla
We analyse the effects of applying an electric field on the critical temperature, Ts, at which superionicity appears in archetypal fast ion conductor CaF2 by means of molecular dyn…
The Role of Density Functional Theory Methods in the Prediction of Nanostructured Gas-Adsorbent Materials
Claudio Cazorla
With the advent of new synthesis and large-scale production technologies, nanostructured gas-adsorbent materials (GAM) like carbon nanocomposites and metal-organic frameworks are b…