G. Chiarotti

works on

density functional theory 1 electronic structure 1 high-performance computing 1 open-source software 1 plane-wave methods 1 pseudopotentials 1

From the 1 of 11 linked papers with an AI index.

activity

19932019

most citedQuantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

29.3k citations · 29.5k across the 10 of their papers we have counts for

collaborators

Showing cond-matShow all

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cond-mat1995★ 11 cited

Atomic and electronic structure of ideal and reconstructed $α$ -Sn (111) surface

Zhong-Yi Lu, Guido L. Chiarotti, S. Scandolo +1

We have carried out an ab-initio study of $α$ -Sn (111), with the aim of predicting and understanding its structure, reconstructions, and electronic states. We consider a variety of…

cond-mat1993

Structural Phase Trasformations via Ab-Initio Molecular Dynamics

P. Focher, G. L. Chiarotti, M. Bernasconi +2

Available simulation methods, suitable to describe solid-solid phase transitions occurring upon increasing of presssure and/or temperature, are based on empirical interatomic poten…

cond-mat1993★ 20 cited

The (001) surface of alpha-Ga is covered with GaIII

M. Bernasconi, G. L. Chiarotti, E. Tosatti

We propose, based on ab initio calculations, that the ground state (001) surface of $α$ -Ga should be covered by two layers of GaIII, a denser phase which is stable in the bulk only…

Atomic and electronic structure of ideal and reconstructed α-Sn (111) surface

Structural Phase Trasformations via Ab-Initio Molecular Dynamics

The (001) surface of alpha-Ga is covered with GaIII

Atomic and electronic structure of ideal and reconstructed $α$ -Sn (111) surface