Publications

Generalized Gradient Approximation Made Simple

Generalized gradient approximations (GGA's) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present...

<i>Ab initio</i>molecular dynamics for liquid metals

We present ab initio quantum-mechanical molecular-dynamics calculations based on the calculation of the electronic ground state and of the Hellmann-Feynman forces in the local-d...

Fast unfolding of communities in large networks

We propose a simple method to extract the community structure of large networks. Our method is a heuristic method that is based on modularity optimization. It is shown to outper...

A unified formulation of the constant temperature molecular dynamics methods

Three recently proposed constant temperature molecular dynamics methods by: (i) Nosé (Mol. Phys., to be published); (ii) Hoover et al. [Phys. Rev. Lett. 48, 1818 (1982)], and Ev...

The influence of polarization functions on molecular orbital hydrogenation energies

Ground State of the Electron Gas by a Stochastic Method

An exact stochastic simulation of the Schroedinger equation for charged bosons and fermions has been used to calculate the correlation energies, to locate the transitions to the...

<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...

Iterative minimization techniques for<i>ab initio</i>total-energy calculations: molecular dynamics and conjugate gradients

This article describes recent technical developments that have made the total-energy pseudopotential the most powerful ab initio quantum-mechanical modeling method presently ava...

SEVEN-YEAR<i>WILKINSON MICROWAVE ANISOTROPY PROBE</i>(<i>WMAP</i>) OBSERVATIONS: COSMOLOGICAL INTERPRETATION

(Abridged) The 7-year WMAP data and improved astrophysical data rigorously\ntest the standard cosmological model and its extensions. By combining WMAP with\nthe latest distance ...

Many-body physics with ultracold gases

This article reviews recent experimental and theoretical progress on many-body phenomena in dilute, ultracold gases. Its focus are effects beyond standard weak-coupling descript...

Intratumor Heterogeneity and Branched Evolution Revealed by Multiregion Sequencing

Intratumor heterogeneity can lead to underestimation of the tumor genomics landscape portrayed from single tumor-biopsy samples and may present major challenges to personalized-...

SPECIES ASSEMBLAGES AND INDICATOR SPECIES:THE NEED FOR A FLEXIBLE ASYMMETRICAL APPROACH

This paper presents a new and simple method to find indicator species and species assemblages characterizing groups of sites. The novelty of our approach lies in the way we comb...