Applications of noisy quantum computing and quantum error mitigation to "adamantaneland": a benchmarking study for quantum chemistry.

The field of quantum computing has the potential to transform quantum chemistry. The variational quantum eigensolver (VQE) algorithm has allowed quantum computing to be applied to chemical problems in the noisy intermediate-scale quantum (NISQ) era. Applications of VQE have generally focused on predicting absolute energies instead of chemical properties that are relative energy differences and that are most interesting to chemists studying a chemical problem.

Determination of Optical Properties and Photodynamic Threshold of Lung Tissue for Treatment Planning of In Vivo Lung Perfusion Assisted Photodynamic Therapy.

Background: Isolated lung metastases in sarcoma and colorectal cancer patients are inadequately treated with current standard therapies. In Vivo Lung Perfusion, a novel platform, could overcome limitations to photodynamic therapy treatment volumes by using low cellular perfusate, removing blood, theoretically allowing greater light penetration. To develop personalized photodynamic therapy protocols requires in silico light propagation simulations based on optical properties and maximal permissible photodynamic threshold dose of lung tissue.

Nonlinear Chemical Sensitivity Enhancement of Nanowires in the Ultralow Concentration Regime.

Much recent attention has been focused on the development of field-effect transistors based on low-dimensional nanostructures for the detection and manipulation of molecules. Because of their extraordinarily high charge sensitivity, InAs nanowires present an excellent material system in which to probe and study the behavior of molecules on their surfaces and elucidate the underlying mechanisms dictating the sensor response. So far, chemical sensors have relied on slow, activated processes restricting their applicability to high temperatures and macroscopic adsorbate coverages.

Surface State Dynamics Dictating Transport in InAs Nanowires.

Because of their high aspect ratio, nanostructures are particularly susceptible to effects from surfaces such as slow electron trapping by surface states. However, nonequilibrium trapping dynamics have been largely overlooked when considering transport in nanoelectronic devices. In this study, we demonstrate the profound influence of dynamic trapping processes on transport in InAs nanowires through an investigation of the hysteretic and time-dependent behavior of the transconductance.

Broadband Epsilon-near-Zero Reflectors Enhance the Quantum Efficiency of Thin Solar Cells at Visible and Infrared Wavelengths.

The engineering of broadband absorbers to harvest white light in thin-film semiconductors is a major challenge in developing renewable materials for energy harvesting. Many solution-processed materials with high manufacturability and low cost, such as semiconductor quantum dots, require the use of film structures with thicknesses on the order of 1 μm to absorb incoming photons completely. The electron transport lengths in these media, however, are 1 order of magnitude smaller than this length, hampering further progress with this platform.

Efficient Biexciton Interaction in Perovskite Quantum Dots Under Weak and Strong Confinement.

Cesium lead halide perovskite quantum dots (PQDs) have emerged as a promising new platform for lighting applications. However, to date, light emitting diodes (LED) based on these materials exhibit limited efficiencies. One hypothesized limiting factor is fast nonradiative multiexciton Auger recombination.

Efficient Luminescence from Perovskite Quantum Dot Solids.

Nanocrystals of CsPbX3 perovskites are promising materials for light-emitting optoelectronics because of their colloidal stability, optically tunable bandgap, bright photoluminescence, and excellent photoluminescence quantum yield. Despite their promise, nanocrystal-only films of CsPbX3 perovskites have not yet been fabricated; instead, highly insulating polymers have been relied upon to compensate for nanocrystals' unstable surfaces. We develop solution chemistry that enables single-step casting of perovskite nanocrystal films and overcomes problems in both perovskite quantum dot purification and film fabrication.

Interaction of H2O and H2S with Cu(111) and the impact of the electric field: the rotating & translating adsorbate, and the rippled surface.

The interactions of H2O and H2S monomers with Cu(111) in the absence and presence of an external electric field are studied using density functional theory. It is found that the adsorption is accompanied by a rippled pattern of the surface Cu atoms and electron accumulation on the surface Cu atoms surrounding the adsorption site. The response of the H2O/Cu(111) and H2S/Cu(111) interfaces to the external electric field is computed up to the field magnitude of 10(10) V m(-1).

Femtosecond laser fabrication of birefringent directional couplers as polarization beam splitters in fused silica.

Integrated polarization beam splitters based on birefringent directional couplers are demonstrated. The devices are fabricated in bulk fused silica glass by femtosecond laser writing (300 fs, 150 nJ at 500 kHz, 522 nm). The birefringence was measured from the spectral splitting of the Bragg grating resonances associated with the vertically and horizontally polarized modes.

An improved method for scoring protein-protein interactions using semantic similarity within the gene ontology.

Background: Semantic similarity measures are useful to assess the physiological relevance of protein-protein interactions (PPIs). They quantify similarity between proteins based on their function using annotation systems like the Gene Ontology (GO). Proteins that interact in the cell are likely to be in similar locations or involved in similar biological processes compared to proteins that do not interact.

Identifying cis- and trans-acting single-nucleotide polymorphisms controlling lymphocyte gene expression in humans.

Assuming multiple loci play a role in regulating the expression level of a single phenotype, we propose a new approach to identify cis- and trans-acting loci that regulate gene expression. Using the Problem 1 data set made available for Genetic Analysis Workshop 15 (GAW15), we identified many expression phenotypes that have significant evidence of association and linkage to one or more chromosomal regions. In particular, six of ten phenotypes that we found to be regulated by cis- and trans-acting loci were also mapped by a previous analysis of these data in which a total of 27 phenotypes were identified with expression levels regulated by cis-acting determinants.

To recognize shapes, first learn to generate images.

The uniformity of the cortical architecture and the ability of functions to move to different areas of cortex following early damage strongly suggest that there is a single basic learning algorithm for extracting underlying structure from richly structured, high-dimensional sensory data. There have been many attempts to design such an algorithm, but until recently they all suffered from serious computational weaknesses. This chapter describes several of the proposed algorithms and shows how they can be combined to produce hybrid methods that work efficiently in networks with many layers and millions of adaptive connections.

Optical limiting and intensity-dependent diffraction from low-contrast nonlinear periodic media: Coupled-mode analysis.

The method of multiple scales is used to develop a procedure for obtaining coupled-mode equations in low-contrast nonlinear photonic crystals periodic in one, two, or three dimensions. Coupled-mode equations for three coupled modes in a two-dimensional (2D) hexagonal lattice are obtained in this way and solved numerically. We show that 2D low-contrast nonlinear photonic crystals support optical limiting and intensity-dependent diffraction.