S. Scandolo

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 18 linked papers with an AI index.

activity

19972021

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

29.3k citations · 29.8k across the 18 of their papers we have counts for

collaborators

Showing 2005Show all

2 papers · 1 filter

physics.geo-ph2005★ 3 cited

First principles study of density, viscosity, and diffusion coefficients of liquid MgSiO3 at conditions of the Earth's deep mantle

Jones T. K. Wan, Thomas S. Duffy, Sandro Scandolo +1

Constant-pressure constant-temperature {\it ab initio} molecular dynamics simulations at high temperatures have been used to study MgSiO $_{3}$ liquid, the major constituent of the Ea…

cond-mat.stat-mech2005★ 14 cited

Theoretical evidence for a reentrant phase diagram in {\em ortho-para} mixtures of solid H $_{2}$

Balazs Hetenyi, Sandro Scandolo, Erio Tosatti

We develop a multi order parameter mean-field formalism for systems of coupled quantum rotors. The scheme is developed to account for systems where {\it ortho-para} distinction is…

First principles study of density, viscosity, and diffusion coefficients of liquid MgSiO3 at conditions of the Earth's deep mantle

Theoretical evidence for a reentrant phase diagram in {\em ortho-para} mixtures of solid H2​

Theoretical evidence for a reentrant phase diagram in {\em ortho-para} mixtures of solid H $_{2}$