National Research Council

About: National Research Council is a government organization based out in Washington D.C., District of Columbia, United States. It is known for research contribution in the topics: Population & Laser. The organization has 36517 authors who have published 76001 publications receiving 2437211 citations. The organization is also known as: the National Academies & National Research Council.

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

Abstract: QUANTUM ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). The acronym ESPRESSO stands for opEn Source Package for Research in Electronic Structure, Simulation, and Optimization. It is freely available to researchers around the world under the terms of the GNU General Public License. QUANTUM ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively parallel architectures, and a great effort being devoted to user friendliness. QUANTUM ESPRESSO is evolving towards a distribution of independent and interoperable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.

A global reference for human genetic variation.

Abstract: The 1000 Genomes Project set out to provide a comprehensive description of common human genetic variation by applying whole-genome sequencing to a diverse set of individuals from multiple populations. Here we report completion of the project, having reconstructed the genomes of 2,504 individuals from 26 populations using a combination of low-coverage whole-genome sequencing, deep exome sequencing, and dense microarray genotyping. We characterized a broad spectrum of genetic variation, in total over 88 million variants (84.7 million single nucleotide polymorphisms (SNPs), 3.6 million short insertions/deletions (indels), and 60,000 structural variants), all phased onto high-quality haplotypes. This resource includes >99% of SNP variants with a frequency of >1% for a variety of ancestries. We describe the distribution of genetic variation across the global sample, and discuss the implications for common disease studies.

First year Wilkinson Microwave Anisotropy Probe (WMAP) observations: Determination of cosmological parameters

Abstract: WMAP precision data enable accurate testing of cosmological models. We find that the emerging standard model of cosmology, a flat � -dominated universe seeded by a nearly scale-invariant adiabatic Gaussian fluctuations, fits the WMAP data. For the WMAP data only, the best-fit parameters are h ¼ 0:72 � 0:05, � bh 2 ¼ 0:024 � 0:001, � mh 2 ¼ 0:14 � 0:02, � ¼ 0:166 þ0:076 � 0:071 , ns ¼ 0:99 � 0:04, and � 8 ¼ 0:9 � 0:1. With parameters fixed only by WMAP data, we can fit finer scale cosmic microwave background (CMB) measure- ments and measurements of large-scale structure (galaxy surveys and the Lyforest). This simple model is also consistent with a host of other astronomical measurements: its inferred age of the universe is consistent with stellar ages, the baryon/photon ratio is consistent with measurements of the (D/H) ratio, and the inferred Hubble constant is consistent with local observations of the expansion rate. We then fit the model parameters to a combination of WMAP data with other finer scale CMB experiments (ACBAR and CBI), 2dFGRS measurements, and Lyforest data to find the model's best-fit cosmological parameters: h ¼ 0:71 þ0:04 � 0:03 , � bh 2 ¼ 0:0224 � 0:0009, � mh 2 ¼ 0:135 þ0:008 � 0:009 , � ¼ 0:17 � 0:06, ns(0.05 Mpc � 1 )=0 :93 � 0:03, and � 8 ¼ 0:84 � 0:04. WMAP's best determination of � ¼ 0:17 � 0:04 arises directly from the temperature- polarization (TE) data and not from this model fit, but they are consistent. These parameters imply that the age of the universe is 13:7 � 0:2 Gyr. With the Lyforest data, the model favors but does not require a slowly varying spectral index. The significance of this running index is sensitive to the uncertainties in the Ly� forest. By combining WMAP data with other astronomical data, we constrain the geometry of the universe, � tot ¼ 1:02 � 0:02, and the equation of state of the dark energy, w < � 0:78 (95% confidence limit assuming w �� 1). The combination of WMAP and 2dFGRS data constrains the energy density in stable neutrinos: � � h 2 < 0:0072 (95% confidence limit). For three degenerate neutrino species, this limit implies that their mass is less than 0.23 eV (95% confidence limit). The WMAP detection of early reionization rules out warm dark matter. Subject headings: cosmic microwave background — cosmological parameters — cosmology: observations — early universe On-line material: color figure

A molecular dynamics method for simulations in the canonical ensemble

Abstract: A molecular dynamics simulation method which can generate configurations belonging to the canonical (T, V, N) ensemble or the constant temperature constant pressure (T, P, N) ensemble, is proposed. The physical system of interest consists of N particles (f degrees of freedom), to which an external, macroscopic variable and its conjugate momentum are added. This device allows the total energy of the physical system to fluctuate. The equilibrium distribution of the energy coincides with the canonical distribution both in momentum and in coordinate space. The method is tested for an atomic fluid (Ar) and works well.