We present a new algorithm, the COLD PRISM, for computing matrix elements in molecular orbital calculations. Whereas traditional approaches form these from two-electron repulsion integrals ~ERIs! which, in turn, are formed from shell-pair data, we introduce several alternative paths that do not involve ERIs as intermediates. Tensor multiplication can be used as the basic arithmetic operation on...

Reaction mechanisms for the catalytic hydrogenation of CO2 by faujasite-supported Ir4 clusters were studied by periodic DFT calculations. The reaction can proceed through two alternative paths. The thermodynamically favoured path results in the reduction of CO2 to CO, whereas the other, kinetically preferred channel involves CO2 hydrogenation to formic acid under water-free conditions. Both pat...

—We describe a new technique for tracking snakes that is an alternative to radio-transmitters and thread trails. We coated the bodies of three species of garter snakes (Thamnophis) in fluorescent powder, then followed and marked the trails with a UV light at night. The use of a UV light allowed us to see very detailed paths left by the snakes. This technique was effective for snakes > 10 g and ...

In video games, pathfinding must be done quickly and accurately. Not much computational time is allowed for pathfinding, but realistic looking paths are required. One approach to pathfinding which attempts to satisfy both of these constraints is to perform pathfinding on abstractions of the map. Botea et al.’s Hierarchical Pathfinding A* (HPA*) does this by dividing the map into square sectors ...

Shape classification using graphs and skeletons usually involves edition processes in order to reduce the influence of structural noise. However, edition distances can not be readily used within the kernel machine framework as they generally lead to indefinite kernels. In this paper, we propose a graph kernel based on bags of paths and edit operations which remains positive-definite according t...

The methods of constructing physical unclonable functions (PUF), which are the basis cryptography, analyzed. broad applicability Arbiter PUF, based on analysis delays signal transmitted along two paths, is noted. It shown that randomness explained by technological variations in manufacturing process PUF and their dependence use homogeneous repeating elements ensure symmetry paths. As an alterna...

Temporal Networks play an important role in solving planning problems and they are also used, though not as frequently, when solving scheduling problems. In this paper we propose an extension of temporal networks by parallel and alternative branching. This extension supports modelling of alternative paths in the network; in particular, it is motivated by modelling alternative process routes in ...