Spinoza

"Spinoza", second edition. Encyclopedia entry for the Springer Encyclopedia of EM Phil and the Sciences, ed. D. Jalobeanu and C. T. Wolfe

Optimizing Replica Exchange Moves For Molecular Dynamics

In this short note we sketch the statistical physics framework of the replica exchange technique when applied to molecular dynamics simulations. In particular, we draw attention to generalized move sets that allow a variety of optimizations as well as new applications of the method.Comment: 4 pages, 3 figures; revised version (1 figure added), PRE in pres

The V3, V4 and V6 bands of formaldehyde: A spectral catalog from 900 cm(-1) to 1580 cm(-1)

The results of a complete high resolution study of the three vibration-rotation bands v sub 3, v sub 4, and V sub 6 using both TDLs and FT-IR spectroscopy are presented. The reults are given in terms of a table of over 8000 predicted transition frequencies and strengths. A plot of the predicted and calculated spectra is shown. Over 3000 transitions were assigned and used in the simultaneous analysis of the three bands. The simultaneous fit permitted a rigorous study of Coriolis and other type iterations among bands yielding improved molecular constants. Line intensities of 28 transitions measured by a TDL and 20 transitions from FTS data were used, along with the eigenvectors from the frequency fitting, in a least squares analysis to evaluate the band strengths

Random Walks on a Fluctuating Lattice: A Renormalization Group Approach Applied in One Dimension

We study the problem of a random walk on a lattice in which bonds connecting nearest neighbor sites open and close randomly in time, a situation often encountered in fluctuating media. We present a simple renormalization group technique to solve for the effective diffusive behavior at long times. For one-dimensional lattices we obtain better quantitative agreement with simulation data than earlier effective medium results. Our technique works in principle in any dimension, although the amount of computation required rises with dimensionality of the lattice.Comment: PostScript file including 2 figures, total 15 pages, 8 other figures obtainable by mail from D.L. Stei

Connecting up strategy: are senior strategy directors a missing link?

With companies being exhorted to become more strategically agile and internally connected, this article examines the role of the Senior Strategy Director, the executive tasked specifically with internal strategy. In particular, it explores what they do, what specific capabilities they deploy to enable effective contribution to the company, and in what ways they facilitate the connectedness of strategy. An analysis of multiple interviews over time with Senior Strategy Directors of large companies shows the vital and challenging role these executives play in both shaping, connecting up, and executing strategy. This article identifies the particular capabilities necessary for Senior Strategy Directors to perform their role and shows how it all depends upon their skilful deployment. These findings have significant implications for understanding unfolding micro-processes of strategy in large organizations, for assumptions about the skills and capabilities necessary to be an effective Senior Strategy Director, and for business schools in terms of the content and style of strategy courses they provide

A categorification of Morelli's theorem

We prove a theorem relating torus-equivariant coherent sheaves on toric varieties to polyhedrally-constructible sheaves on a vector space. At the level of K-theory, the theorem recovers Morelli's description of the K-theory of a smooth projective toric variety. Specifically, let $X$ be a proper toric variety of dimension $n$ and let M_\bR = \mathrm{Lie}(T_\bR^\vee)\cong \bR^n be the Lie algebra of the compact dual (real) torus T_\bR^\vee\cong U(1)^n. Then there is a corresponding conical Lagrangian \Lambda \subset T^*M_\bR and an equivalence of triangulated dg categories \Perf_T(X) \cong \Sh_{cc}(M_\bR;\Lambda), where \Perf_T(X) is the triangulated dg category of perfect complexes of torus-equivariant coherent sheaves on $X$ and \Sh_{cc}(M_\bR;\Lambda) is the triangulated dg category of complex of sheaves on M_\bR with compactly supported, constructible cohomology whose singular support lies in $\Lambda$. This equivalence is monoidal---it intertwines the tensor product of coherent sheaves on $X$ with the convolution product of constructible sheaves on M_\bR.Comment: 20 pages. This is a strengthened version of the first half of arXiv:0811.1228v3, with new results; the second half becomes arXiv:0811.1228v

Violating conformal invariance: Two-dimensional clusters grafted to wedges, cones, and branch points of Riemann surfaces

We present simulations of 2-d site animals on square and triangular lattices in non-trivial geomeLattice animals are one of the few critical models in statistical mechanics violating conformal invariance. We present here simulations of 2-d site animals on square and triangular lattices in non-trivial geometries. The simulations are done with the newly developed PERM algorithm which gives very precise estimates of the partition sum, yielding precise values for the entropic exponent $\theta$ ($Z_N \sim \mu^N N^{-\theta}$). In particular, we studied animals grafted to the tips of wedges with a wide range of angles $\alpha$, to the tips of cones (wedges with the sides glued together), and to branching points of Riemann surfaces. The latter can either have $k$ sheets and no boundary, generalizing in this way cones to angles $\alpha > 360$ degrees, or can have boundaries, generalizing wedges. We find conformal invariance behavior, $\theta \sim 1/\alpha$, only for small angles ($\alpha \ll 2\pi$), while $\theta \approx const -\alpha/2\pi$ for $\alpha \gg 2\pi$. These scalings hold both for wedges and cones. A heuristic (non-conformal) argument for the behavior at large $\alpha$ is given, and comparison is made with critical percolation.Comment: 4 pages, includes 3 figure

Heat Conduction and Entropy Production in a One-Dimensional Hard-Particle Gas

We present large scale simulations for a one-dimensional chain of hard-point particles with alternating masses. We correct several claims in the recent literature based on much smaller simulations. Both for boundary conditions with two heat baths at different temperatures at both ends and from heat current autocorrelations in equilibrium we find heat conductivities kappa to diverge with the number N of particles. These depended very strongly on the mass ratios, and extrapolation to N -> infty resp. t -> infty is difficult due to very large finite-size and finite-time corrections. Nevertheless, our data seem compatible with a universal power law kappa ~ N^alpha with alpha approx 0.33. This suggests a relation to the Kardar-Parisi-Zhang model. We finally show that the hard-point gas with periodic boundary conditions is not chaotic in the usual sense and discuss why the system, when kept out of equilibrium, leads nevertheless to energy dissipation and entropy production.Comment: 4 pages (incl. 5 figures), RevTe