Scuola Internazionale Superiore di Studi Avanzati

<i>Planck</i> 2018 results

We present cosmological parameter results from the final full-mission Planck measurements of the cosmic microwave background (CMB) anisotropies, combining information from the t...

Unified Approach for Molecular Dynamics and Density-Functional Theory

We present a unified scheme that, by combining molecular dynamics and density-functional theory, profoundly extends the range of both concepts. Our approach extends molecular dy...

<i>Planck</i>2015 results

We present results based on full-mission Planck observations of temperature and polarization anisotropies of the CMB. These data are consistent with the six-parameter inflationa...

Phonons and related crystal properties from density-functional perturbation theory

This article reviews the current status of lattice-dynamical calculations in\ncrystals, using density-functional perturbation theory, with emphasis on the\nplane-wave pseudo-pot...

Computer graphics and graphical user interfaces as tools in simulations of matter at the atomic scale

<i>Gaia</i> Data Release 2

Context. Gaia Data Release 2 provides high-precision astrometry and three-band photometry for about 1.3 billion sources over the full sky. The precision, accuracy, and homogenei...

Global protein function prediction from protein-protein interaction networks

Using metadynamics to explore complex free-energy landscapes

<i>Ab initio</i>calculation of the macroscopic dielectric constant in silicon

We perform a first-principles calculation of the static dielectric constant of Si in the framework of density-functional theory. The only essential approximation used in this wo...

Theory of<i>ab initio</i>molecular-dynamics calculations

The theoretical basis of the first-principles molecular dynamics introduced by Car and Parrinello [Phys. Rev. Lett. 55, 2471 (1985)] is investigated. We elucidate how the classi...