TY - CONF AB - Even though Delaunay originally introduced his famous triangulations in the case of infinite point sets with translational periodicity, a software that computes such triangulations in the general case is not yet available, to the best of our knowledge. Combining and generalizing previous work, we present a practical algorithm for computing such triangulations. The algorithm has been implemented and experiments show that its performance is as good as the one of the CGAL package, which is restricted to cubic periodicity. AU - Osang, Georg F AU - Rouxel-Labbé, Mael AU - Teillaud, Monique ID - 8703 SN - 18688969 T2 - 28th Annual European Symposium on Algorithms TI - Generalizing CGAL periodic Delaunay triangulations VL - 173 ER - TY - JOUR AB - Fejes Tóth [3] studied approximations of smooth surfaces in three-space by piecewise flat triangular meshes with a given number of vertices on the surface that are optimal with respect to Hausdorff distance. He proves that this Hausdorff distance decreases inversely proportional with the number of vertices of the approximating mesh if the surface is convex. He also claims that this Hausdorff distance is inversely proportional to the square of the number of vertices for a specific non-convex surface, namely a one-sheeted hyperboloid of revolution bounded by two congruent circles. We refute this claim, and show that the asymptotic behavior of the Hausdorff distance is linear, that is the same as for convex surfaces. AU - Vegter, Gert AU - Wintraecken, Mathijs ID - 8163 IS - 2 JF - Studia Scientiarum Mathematicarum Hungarica SN - 0081-6906 TI - Refutation of a claim made by Fejes Tóth on the accuracy of surface meshes VL - 57 ER - TY - JOUR AB - Representing an atom by a solid sphere in 3-dimensional Euclidean space, we get the space-filling diagram of a molecule by taking the union. Molecular dynamics simulates its motion subject to bonds and other forces, including the solvation free energy. The morphometric approach [12, 17] writes the latter as a linear combination of weighted versions of the volume, area, mean curvature, and Gaussian curvature of the space-filling diagram. We give a formula for the derivative of the weighted mean curvature. Together with the derivatives of the weighted volume in [7], the weighted area in [3], and the weighted Gaussian curvature [1], this yields the derivative of the morphometric expression of the solvation free energy. AU - Akopyan, Arseniy AU - Edelsbrunner, Herbert ID - 9157 IS - 1 JF - Computational and Mathematical Biophysics SN - 2544-7297 TI - The weighted mean curvature derivative of a space-filling diagram VL - 8 ER - TY - JOUR AB - The morphometric approach [11, 14] writes the solvation free energy as a linear combination of weighted versions of the volume, area, mean curvature, and Gaussian curvature of the space-filling diagram. We give a formula for the derivative of the weighted Gaussian curvature. Together with the derivatives of the weighted volume in [7], the weighted area in [4], and the weighted mean curvature in [1], this yields the derivative of the morphometric expression of solvation free energy. AU - Akopyan, Arseniy AU - Edelsbrunner, Herbert ID - 9156 IS - 1 JF - Computational and Mathematical Biophysics SN - 2544-7297 TI - The weighted Gaussian curvature derivative of a space-filling diagram VL - 8 ER - TY - JOUR AB - We call a continuous self-map that reveals itself through a discrete set of point-value pairs a sampled dynamical system. Capturing the available information with chain maps on Delaunay complexes, we use persistent homology to quantify the evidence of recurrent behavior. We establish a sampling theorem to recover the eigenspaces of the endomorphism on homology induced by the self-map. Using a combinatorial gradient flow arising from the discrete Morse theory for Čech and Delaunay complexes, we construct a chain map to transform the problem from the natural but expensive Čech complexes to the computationally efficient Delaunay triangulations. The fast chain map algorithm has applications beyond dynamical systems. AU - Bauer, U. AU - Edelsbrunner, Herbert AU - Jablonski, Grzegorz AU - Mrozek, M. ID - 15064 IS - 4 JF - Journal of Applied and Computational Topology SN - 2367-1726 TI - Čech-Delaunay gradient flow and homology inference for self-maps VL - 4 ER -