Dicarba-closo-dodecarborane-containing half-sandwich complexes of ruthenium, osmium, rhodium and iridium : biological relevance and synthetic strategies

This review describes how the incorporation of dicarba-closo-dodecarboranes into half-sandwich complexes of ruthenium, osmium, rhodium and iridium might lead to the development of a new class of compounds with applications in medicine. Such a combination not only has unexplored potential in traditional areas such as Boron Neutron Capture Therapy agents, but also as pharmacophores for the targeting of biologically important proteins and the development of targeted drugs. The synthetic pathways used for the syntheses of dicarba-closo-dodecarboranes-containing half-sandwich complexes of ruthenium, osmium, rhodium and iridium are also reviewed. Complexes with a wide variety of geometries and characteristics can be prepared. Examples of addition reactions on the metal centre, B–H activation, transmetalation reactions and/or direct formation of metal–metal bonds are discussed (103 references)

Single-particle dispersion in stably stratified turbulence

We present models for single-particle dispersion in vertical and horizontal directions of stably stratified flows. The model in the vertical direction is based on the observed Lagrangian spectrum of the vertical velocity, while the model in the horizontal direction is a combination of a continuous-time eddy-constrained random walk process with a contribution to transport from horizontal winds. Transport at times larger than the Lagrangian turnover time is not universal and dependent on these winds. The models yield results in good agreement with direct numerical simulations of stratified turbulence, for which single-particle dispersion differs from the well studied case of homogeneous and isotropic turbulence

qTorch: The Quantum Tensor Contraction Handler

Classical simulation of quantum computation is necessary for studying the numerical behavior of quantum algorithms, as there does not yet exist a large viable quantum computer on which to perform numerical tests. Tensor network (TN) contraction is an algorithmic method that can efficiently simulate some quantum circuits, often greatly reducing the computational cost over methods that simulate the full Hilbert space. In this study we implement a tensor network contraction program for simulating quantum circuits using multi-core compute nodes. We show simulation results for the Max-Cut problem on 3- through 7-regular graphs using the quantum approximate optimization algorithm (QAOA), successfully simulating up to 100 qubits. We test two different methods for generating the ordering of tensor index contractions: one is based on the tree decomposition of the line graph, while the other generates ordering using a straight-forward stochastic scheme. Through studying instances of QAOA circuits, we show the expected result that as the treewidth of the quantum circuit's line graph decreases, TN contraction becomes significantly more efficient than simulating the whole Hilbert space. The results in this work suggest that tensor contraction methods are superior only when simulating Max-Cut/QAOA with graphs of regularities approximately five and below. Insight into this point of equal computational cost helps one determine which simulation method will be more efficient for a given quantum circuit. The stochastic contraction method outperforms the line graph based method only when the time to calculate a reasonable tree decomposition is prohibitively expensive. Finally, we release our software package, qTorch (Quantum TensOR Contraction Handler), intended for general quantum circuit simulation.Comment: 21 pages, 8 figure

On the bounded cohomology of semi-simple groups, S-arithmetic groups and products

We prove vanishing results for Lie groups and algebraic groups (over any local field) in bounded cohomology. The main result is a vanishing below twice the rank for semi-simple groups. Related rigidity results are established for S-arithmetic groups and groups over global fields. We also establish vanishing and cohomological rigidity results for products of general locally compact groups and their lattices

On the flux phase conjecture at half-filling: an improved proof

We present a simplification of Lieb's proof of the flux phase conjecture for interacting fermion systems -- such as the Hubbard model --, at half filling on a general class of graphs. The main ingredient is a procedure which transforms a class of fermionic Hamiltonians into reflection positive form. The method can also be applied to other problems, which we briefly illustrate with two examples concerning the $t-V$ model and an extended Falicov-Kimball model.Comment: 23 pages, Latex, uses epsf.sty to include 3 eps figures, to appear in J. Stat. Phys., Dec. 199

Structure characterization of hard sphere packings in amorphous and crystalline states

The channel size distribution in hard sphere systems, based on the local neighbor correlation of four particle positions, is investigated for all volume fractions up to jamming. For each particle, all three particle combinations of neighbors define channels, which are relevant for the concept of caging. The analysis of the channel size distribution is shown to be very useful in distinguishing between gaseous, liquid, partially and fully crystallized, and glassy (random) jammed states. A common microstructural feature of four coplanar particles is observed in crystalline and glassy jammed states, suggesting the presence of "hidden" two-dimensional order in three-dimensional random close packings.Comment: 5 pages, 5 figure

Temporal multimode storage of entangled photon pairs

Multiplexed quantum memories capable of storing and processing entangled photons are essential for the development of quantum networks. In this context, we demonstrate the simultaneous storage and retrieval of two entangled photons inside a solid-state quantum memory and measure a temporal multimode capacity of ten modes. This is achieved by producing two polarization entangled pairs from parametric down conversion and mapping one photon of each pair onto a rare-earth-ion doped (REID) crystal using the atomic frequency comb (AFC) protocol. We develop a concept of indirect entanglement witnesses, which can be used as Schmidt number witness, and we use it to experimentally certify the presence of more than one entangled pair retrieved from the quantum memory. Our work puts forward REID-AFC as a platform compatible with temporal multiplexing of several entangled photon pairs along with a new entanglement certification method useful for the characterisation of multiplexed quantum memories

Afterlife: the post-research affect and effect of software

Software plays an important role in contemporary research. Aside from its use for administering traditional instruments like surveys and in data analysis, the widespread use of mobile and web apps for social, medical and lifestyle engagement has led to software becoming a research intervention in its own right. For example, it is not unusual to find apps being studied for their utility as interventions in health and social life. Since the software may persist in use beyond the life of an investigation, this raises questions as to the extent of ethical duties for researchers involved in its production and/or study towards the participants involved. Key factors identified include the extent of affect created by the software, the effect it has on a participant’s life, the length of investigation, cost of maintenance and participant agency. In this article we discuss the issues raised in such situations, considering them in the context of post-research duties of care and suggesting strategies to balance the burden on researchers with the need for ongoing participant support

Doped coupled frustrated spin-1/2 chains with four-spin exchange

The role of various magnetic inter-chain couplings is investigated by numerical methods in doped frustrated quantum spin chains. A non-magnetic dopant introduced in a gapped spin chain releases a free spin-1/2 soliton. The formation of a local magnetic moment is analyzed in term of soliton confinement. A four-spin coupling which might originate from cyclic exchange is shown to produce such a confinement in contrast to transverse magnetic exchange. Dopants on different chains experience an effective space-extended non-frustrating pairwise spin interaction.Comment: Few modifications and references added. Submitted to PR