On the prediction of vector-valued random fields and the spectral distribution of their evanescent component

Let (X_m,n)_(m,n)∈Z² be a C^p-valued wide sense stationary process. We study the prediction theory of such processes according to different total orders on Z². In the case of a “rational order”, we give the spectral distribution of the resulting evanescent component and prove that for two different rational orders, the resulting evanescent components are mutually orthogonal.     

Kupfer

Ohne Zusammenfassung     

Ergodic theorems with arithmetical weights

We prove that the divisor function d(n) counting the number of divisors of the integer n is a good weighting function for the pointwise ergodic theorem. For any measurable dynamical system (X, A, ν, τ) and any f ∈ L ^p (ν), p > 1, the limit

$$\mathop {\lim }\limits_{n \to \infty } \frac{1}{{\Sigma _{k = 1}^nd\left( k \right)}}\sum\limits_{k = 1}^n {d\left( k \right)f\left( {{\tau ^k}x} \right)} $$

exists ν-almost everywhere. The proof is based on Bourgain’s method, namely the circle method based on the shift model. Using more elementary ideas we also obtain similar results for other arithmetical functions, like the θ(n) function counting the number of squarefree divisors of n and the generalized Euler totient function J _s (n) = Σ _d|n d ^s μ(n/d), s > 0.

     

Exploring the free energy surfaces of clusters using reconnaissance metadynamics

A new approach is proposed for exploring the low-energy structures of small to medium-sized aggregates of atoms and molecules. This approach uses the recently proposed reconnaissance metadynamics method [G. A. Tribello, M. Ceriotti, and M. Parrinello. Proc. Natl. Acad. Sci. U.S.A. 107(41), 17509 (2010)] in tandem with collective variables that describe the average structure of the coordination sphere around the atoms/molecules. We demonstrate this method on both Lennard-Jones and water clusters and show how it is able to quickly find the global minimum in the potential energy surface, while exploring the finite temperature free energy surface.     

Ring opening cross-metathesis on solid support: a combinatorial library synthesis of highly functionalized cyclopentanes

Ruthenium catalyzed ring opening cross-metathesis of resin-bound bicyclic alkenes with terminal aryl olefins was utilized for the construction of a combinatorial library containing highly functionalized cyclopentane derivatives. The technology described herein represents a convergent method for the diastereospecific synthesis of unique cyclopentane molecular scaffolds useful for exploratory medicinal chemistry. This revised version was published online in August 2006 with corrections to the Cover Date.