Monte Carlo sampling from the quantum state space. II

High-quality random samples of quantum states are needed for a variety of tasks in quantum information and quantum computation. Searching the high-dimensional quantum state space for a global maximum of an objective function with many local maxima or evaluating an integral over a region in the quantum state space are but two exemplary applications of many. These tasks can only be performed reliably and efficiently with Monte Carlo methods, which involve good samplings of the parameter space in accordance with the relevant target distribution. We show how the Markov-chain Monte Carlo method known as Hamiltonian Monte Carlo, or hybrid Monte Carlo, can be adapted to this context. It is applicable when an efficient parameterization of the state space is available. The resulting random walk is entirely inside the physical parameter space, and the Hamiltonian dynamics enable us to take big steps, thereby avoiding strong correlations between successive sample points while enjoying a high acceptance rate. We use examples of single and double qubit measurements for illustration.Comment: 11 pages, 4 figures, 12 reference

Monte Carlo sampling from the quantum state space. I

High-quality random samples of quantum states are needed for a variety of tasks in quantum information and quantum computation. Searching the high-dimensional quantum state space for a global maximum of an objective function with many local maxima or evaluating an integral over a region in the quantum state space are but two exemplary applications of many. These tasks can only be performed reliably and efficiently with Monte Carlo methods, which involve good samplings of the parameter space in accordance with the relevant target distribution. We show how the standard strategies of rejection sampling, importance sampling, and Markov-chain sampling can be adapted to this context, where the samples must obey the constraints imposed by the positivity of the statistical operator. For a comparison of these sampling methods, we generate sample points in the probability space for two-qubit states probed with a tomographically incomplete measurement, and then use the sample for the calculation of the size and credibility of the recently-introduced optimal error regions [see New J. Phys. 15 (2013) 123026]. Another illustration is the computation of the fractional volume of separable two-qubit states.Comment: 13 pages, 5 figures, 1 table, 26 reference

Enhancing Hydrogen Generation Through Nanoconfinement of Sensitizers and Catalysts in a Homogeneous Supramolecular Organic Framework.

Enrichment of molecular photosensitizers and catalysts in a confined nanospace is conducive for photocatalytic reactions due to improved photoexcited electron transfer from photosensitizers to catalysts. Herein, the self-assembly of a highly stable 3D supramolecular organic framework from a rigid bipyridine-derived tetrahedral monomer and cucurbit[8]uril in water, and its efficient and simultaneous intake of both [Ru(bpy)3 ]2+ -based photosensitizers and various polyoxometalates, that can take place at very low loading, are reported. The enrichment substantially increases the apparent concentration of both photosensitizer and catalyst in the interior of the framework, which leads to a recyclable, homogeneous, visible light-driven photocatalytic system with 110-fold increase of the turnover number for the hydrogen evolution reaction