Physics and Astronomy
Recent Submissions
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Chemical tuning of electrical transport in Ti1−xPtxSe2−y
(2015-01-20)The structural and transport properties of polycrystalline Ti1−xPtxSe2−y(x≤0.13,y≤0.2) are studied, revealing highly tunable electrical properties, spanning nearly ten orders of magnitude in scaled resistivity. Using x-ray ... -
Synergy between pair coupled cluster doubles and pair density functional theory
(2015)Pair coupled cluster doubles (pCCD) has been recently studied as a method capable of accounting for static correlation with low polynomial cost. We present three combinations of pCCD with Kohn–Sham functionals of the density ... -
Discovery of optimal zeolites for challenging separations and chemical transformations using predictive materials modeling
(2015)Zeolites play numerous important roles in modern petroleum refineries and have the potential to advance the production of fuels and chemical feedstocks from renewable resources. The performance of a zeolite as separation ... -
The Atlastin C-terminal Tail is an Amphipathic Helix that Perturbs Bilayer Structure during Endoplasmic Reticulum Homotypic Fusion
(2015)Fusion of tubular membranes is required to form three-way junctions found in reticular subdomains of the endoplasmic reticulum (ER). The large GTPase Atlastin has recently been shown to drive ER membrane fusion and three-way ... -
In Silico Discovery of High Deliverable Capacity Metal-Organic Frameworks
(2015)Metal-organic frameworks (MOFs) are actively being explored as potential adsorbed natural gas storage materials for small vehicles. Experimental exploration of potential materials is limited by the throughput of synthetic ...
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