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Early Career Members at the Lung Science Conference and the Sleep and Breathing Conference 2019.
The Lung Science Conference and the Sleep and Breathing Conference 2019 brought together leading experts in the field to discuss the latest cutting-edge science, as well as various career development opportunities for early...
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X-rays glimpse solid hydrogen's structure.
Little was known about the properties of hydrogen under extreme pressure. Experiments now reveal key details about the arrangement of molecules in several of the element’s high-pressure phases.
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Data-driven learning and prediction of inorganic crystal structures.
Crystal structure prediction algorithms, including ab initio random structure searching (AIRSS), are intrinsically limited by the huge computational cost of the underlying quantum-mechanical methods. We have recently shown that...
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Hierarchically Structured Allotropes of Phosphorus from Data-Driven Exploration.
The discovery of materials is increasingly guided by quantum-mechanical crystal-structure prediction, but the structural complexity in bulk and nanoscale materials remains a bottleneck. Here we demonstrate how data-driven...
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Reasons for shunting and reasons for revision
H Richards, H Seeley, J Pickard
Jun 16, 2011
RIGHTS : This article is licensed under the BioMed Central licence at http://www.biomedcentral.com/about/license which is similar to the 'Creative Commons Attribution Licence'. In brief you may : copy, distribute, and display...
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Computationally Directed Discovery of MoBi2.
Incorporating bismuth, the heaviest element stable to radioactive decay, into new materials enables the creation of emergent properties such as permanent magnetism, superconductivity, and nontrivial topology. Understanding the...
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Polytypism in the ground state structure of the Lennard-Jonesium.
We present a systematic study of the stability of nineteen different periodic structures using the finite range Lennard-Jones potential model discussing the effects of pressure, potential truncation, cutoff distance and...
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Mapping uncharted territory in ice from zeolite networks to ice structures.
Ice is one of the most extensively studied condensed matter systems. Yet, both experimentally and theoretically several new phases have been discovered over the last years. Here we report a large-scale density-functional-theory...
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Resistance to CSF outflow depends upon duration of symptoms in patients with Normal Pressure Hydrocephalus
RIGHTS : This article is licensed under the BioMed Central licence at http://www.biomedcentral.com/about/license which is similar to the 'Creative Commons Attribution Licence'. In brief you may : copy, distribute, and display...
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Random Structure Searching with Orbital-Free Density Functional Theory.
The properties of a material depend on how its atoms are arranged, and predicting these arrangements from first principles is a longstanding challenge. Orbital-free density functional theory provides a quantum-mechanical model...
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