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1.
Nat Commun ; 14(1): 1952, 2023 Apr 07.
Article in English | MEDLINE | ID: mdl-37029105

ABSTRACT

Due to intense interest in the potential applications of quantum computing, it is critical to understand the basis for potential exponential quantum advantage in quantum chemistry. Here we gather the evidence for this case in the most common task in quantum chemistry, namely, ground-state energy estimation, for generic chemical problems where heuristic quantum state preparation might be assumed to be efficient. The availability of exponential quantum advantage then centers on whether features of the physical problem that enable efficient heuristic quantum state preparation also enable efficient solution by classical heuristics. Through numerical studies of quantum state preparation and empirical complexity analysis (including the error scaling) of classical heuristics, in both ab initio and model Hamiltonian settings, we conclude that evidence for such an exponential advantage across chemical space has yet to be found. While quantum computers may still prove useful for ground-state quantum chemistry through polynomial speedups, it may be prudent to assume exponential speedups are not generically available for this problem.

2.
Talanta ; 76(4): 731-5, 2008 Aug 15.
Article in English | MEDLINE | ID: mdl-18656649

ABSTRACT

Variable incidence angle X-ray absorption fine structure (VIAXAFS) spectroscopy offers a non-destructive ability to investigate film nano-structures. This technique was applied, spanning sample-beam angles from a grazing to normal incidence on a film obtained by zirconia sputtering on flat sample of stainless steel. X-ray absorption fine structure analysis on the Zr K edge identified chemical, defects and fractal structures through the film depth. VIAXAFS revealed occurrence of zirconium monoxide fractions at the surface a reduced state of zirconium oxide vs. the zirconium dioxide bulk. The discussion underlines that the technique may quantify the profile of various sub-layers, nano-pores, dislocations, vacancies or defect features.


Subject(s)
Spectrometry, X-Ray Emission/methods , Zirconium/chemistry , Absorption , Crystallography, X-Ray/methods , Equipment Design , Models, Statistical , Scattering, Small Angle , Spectrometry, X-Ray Emission/instrumentation
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