<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...
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1,394 publications
Comparison of simple potential functions for simulating liquid water
Classical Monte Carlo simulations have been carried out for liquid water in the NPT ensemble at 25 °C and 1 atm using six of the simpler intermolecular potential functions for t...
The Discovery of Grounded Theory; Strategies for Qualitative Research
Most writing on sociological method has been concerned with how accurate facts can be obtained and how theory can thereby be more rigorously tested. In The Discovery of Grounded...
AMPLIFICATION AND DIRECT SEQUENCING OF FUNGAL RIBOSOMAL RNA GENES FOR PHYLOGENETICS
Fusarium oxysporum f. sp.cubense (Foc), is the causal agent of the disease known as Fusarium wilt in musaceous crops.It is one of the major limiting factors in the world product...
Absorptive Capacity: A New Perspective on Learning and Innovation
In this paper, we argue that the ability of a firm to recognize the value of new, external information, assimilate it, and apply it to commercial ends is critical to its innovat...
Rich Feature Hierarchies for Accurate Object Detection and Semantic Segmentation
Object detection performance, as measured on the canonical PASCAL VOC dataset, has plateaued in the last few years. The best-performing methods are complex ensemble systems that...
Rethinking the Inception Architecture for Computer Vision
Convolutional networks are at the core of most state of-the-art computer vision solutions for a wide variety of tasks. Since 2014 very deep convolutional networks started to bec...
Institutions, Institutional Change and Economic Performance
Continuing his groundbreaking analysis of economic structures, Douglass North develops an analytical framework for explaining the ways in which institutions and institutional ch...
A low-cost, high-efficiency solar cell based on dye-sensitized colloidal TiO2 films
THE large-scale use of photovoltaic devices for electricity generation is prohibitively expensive at present: generation from existing commercial devices costs about ten times m...
The ERA5 global reanalysis
Abstract Within the Copernicus Climate Change Service (C3S), ECMWF is producing the ERA5 reanalysis which, once completed, will embody a detailed record of the global atmosphere...