The traveling salesman problem, conformal invariance, and dense polymers

We propose that the statistics of the optimal tour in the planar random Euclidean traveling salesman problem is conformally invariant on large scales. This is exhibited in power-law behavior of the probabilities for the tour to zigzag repeatedly between two regions, and in subleading corrections to the length of the tour. The universality class should be the same as for dense polymers and minimal spanning trees. The conjectures for the length of the tour on a cylinder are tested numerically.Comment: 4 pages. v2: small revisions, improved argument about dimensions d>2. v3: Final version, with a correction to the form of the tour length in a domain, and a new referenc

Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials

Neural message passing on molecular graphs is one of the most promising methods for predicting formation energy and other properties of molecules and materials. In this work we extend the neural message passing model with an edge update network which allows the information exchanged between atoms to depend on the hidden state of the receiving atom. We benchmark the proposed model on three publicly available datasets (QM9, The Materials Project and OQMD) and show that the proposed model yields superior prediction of formation energies and other properties on all three datasets in comparison with the best published results. Furthermore we investigate different methods for constructing the graph used to represent crystalline structures and we find that using a graph based on K-nearest neighbors achieves better prediction accuracy than using maximum distance cutoff or the Voronoi tessellation graph

Dense loops, supersymmetry, and Goldstone phases in two dimensions

Loop models in two dimensions can be related to O(N) models. The low-temperature dense-loops phase of such a model, or of its reformulation using a supergroup as symmetry, can have a Goldstone broken-symmetry phase for N<2. We argue that this phase is generic for -2< N <2 when crossings of loops are allowed, and distinct from the model of non-crossing dense loops first studied by Nienhuis [Phys. Rev. Lett. 49, 1062 (1982)]. Our arguments are supported by our numerical results, and by a lattice model solved exactly by Martins et al. [Phys. Rev. Lett. 81, 504 (1998)].Comment: RevTeX, 5 pages, 3 postscript figure

The german camera evaluation project - results from the geometry group

The so-called German camera evaluation project was initiated by the German society of Photogrammetry, Remote Sensing and Geoinformation (DGPF) in order to allow for comprehensive empirical test on photogrammetric digital airborne camera systems. During this test, the digital camera systems DMC, Ultracam-X, ADS40 (2nd generation), JAS-150, Quattro DigiCAM and AIC-x1 were flown in the test site Vaihingen/Enz in summer 2008. In addition, RMK analogue images and ALS50 LiDAR data were recorded for comparison, while reference measurements on the ground were made available as well. Parts of the test field were also covered from hyper-spectral sensor flights, namely the AISA+ and ROSIS system. After data collection all this material was prepared, documented and distributed to more than 30 institutions which participated in the evaluation and formed the project network of expertise. This evaluation phase included topics like the analysis of geometric accuracy and sensor calibration, the radiometric performance including on-site radiometric calibration and multi-spectral land classifications. Additionally, the performance of photogrammetric surface model generation and the potential of manual stereo plotting from digital images were investigated. Within this paper, the major findings from the geometric evaluations, namely sensor orientation and height model generation are presented

Construction of transferable spherically-averaged electron potentials

A new scheme for constructing approximate effective electron potentials within density-functional theory is proposed. The scheme consists of calculating the effective potential for a series of reference systems, and then using these potentials to construct the potential of a general system. To make contact to the reference system the neutral-sphere radius of each atom is used. The scheme can simplify calculations with partial wave methods in the atomic-sphere or muffin-tin approximation, since potential parameters can be precalculated and then for a general system obtained through simple interpolation formulas. We have applied the scheme to construct electron potentials of phonons, surfaces, and different crystal structures of silicon and aluminum atoms, and found excellent agreement with the self-consistent effective potential. By using an approximate total electron density obtained from a superposition of atom-based densities, the energy zero of the corresponding effective potential can be found and the energy shifts in the mean potential between inequivalent atoms can therefore be directly estimated. This approach is shown to work well for surfaces and phonons of silicon.Comment: 8 pages (3 uuencoded Postscript figures appended), LaTeX, CAMP-090594-

Chiral surfaces self-assembling in one-component systems with isotropic interactions

We show that chiral symmetry can be broken spontaneously in one-component systems with isotropic interactions, i.e. many-particle systems having maximal a priori symmetry. This is achieved by designing isotropic potentials that lead to self-assembly of chiral surfaces. We demonstrate the principle on a simple chiral lattice and on a more complex lattice with chiral super-cells. In addition we show that the complex lattice has interesting melting behavior with multiple morphologically distinct phases that we argue can be qualitatively predicted from the design of the interaction.Comment: 4 pages, 4 figure

Partly Occupied Wannier Functions

We introduce a scheme for constructing partly occupied, maximally localized Wannier functions (WFs) for both molecular and periodic systems. Compared to the traditional occupied WFs the partly occupied WFs posses improved symmetry and localization properties achieved through a bonding-antibonding closing procedure. We demonstrate the equivalence between bonding-antibonding closure and the minimization of the average spread of the WFs in the case of a benzene molecule and a linear chain of Pt atoms. The general applicability of the method is demonstrated through the calculation of WFs for a metallic system with an impurity: a Pt wire with a hydrogen molecular bridge.Comment: 5 pages, 4 figure

Dynamic rotor mode in antiferromagnetic nanoparticles

We present experimental, numerical, and theoretical evidence for a new mode of antiferromagnetic dynamics in nanoparticles. Elastic neutron scattering experiments on 8 nm particles of hematite display a loss of diffraction intensity with temperature, the intensity vanishing around 150 K. However, the signal from inelastic neutron scattering remains above that temperature, indicating a magnetic system in constant motion. In addition, the precession frequency of the inelastic magnetic signal shows an increase above 100 K. Numerical Langevin simulations of spin dynamics reproduce all measured neutron data and reveal that thermally activated spin canting gives rise to a new type of coherent magnetic precession mode. This "rotor" mode can be seen as a high-temperature version of superparamagnetism and is driven by exchange interactions between the two magnetic sublattices. The frequency of the rotor mode behaves in fair agreement with a simple analytical model, based on a high temperature approximation of the generally accepted Hamiltonian of the system. The extracted model parameters, as the magnetic interaction and the axial anisotropy, are in excellent agreement with results from Mossbauer spectroscopy

The packing of two species of polygons on the square lattice

We decorate the square lattice with two species of polygons under the constraint that every lattice edge is covered by only one polygon and every vertex is visited by both types of polygons. We end up with a 24 vertex model which is known in the literature as the fully packed double loop model. In the particular case in which the fugacities of the polygons are the same, the model admits an exact solution. The solution is obtained using coordinate Bethe ansatz and provides a closed expression for the free energy. In particular we find the free energy of the four colorings model and the double Hamiltonian walk and recover the known entropy of the Ice model. When both fugacities are set equal to two the model undergoes an infinite order phase transition.Comment: 21 pages, 4 figure