Related papers: A New Analytical Method for Computing Solvent Acce…
In this paper we propose an accurate, and computationally efficient method for incorporating adaptive spatial resolution into weakly-compressible Smoothed Particle Hydrodynamics (SPH) schemes. Particles are adaptively split and merged in an…
In this article, a new method for segmentation and restoration of images on two-dimensional surfaces is given. Active contour models for image segmentation are extended to images on surfaces. The evolving curves on the surfaces are…
We introduce an inference-time scene optimization algorithm utilizing triangle soup, a collection of disconnected translucent triangle primitives, as the representation for the geometry and appearance of a scene. Unlike full-rank Gaussian…
In this note we shall introduce a simple, effective numerical method for solving partial differential equations for scalar and vector-valued data defined on surfaces. Even though we shall follow the traditional way to approximate the…
Multiscale mixed methods based on non-overlapping domain decompositions can efficiently handle the solution of significant subsurface flow problems in very heterogeneous formations of interest to the industry, especially when implemented on…
While there has been significant progress in evaluating and comparing different representations for learning on protein data, the role of surface-based learning approaches remains not well-understood. In particular, there is a lack of…
Protein design is a technique to engineer proteins by modifying their sequence to obtain novel functionalities. In this method, amino acids in the sequence are permutated to find the low energy states satisfying the configuration. However,…
Deep Learning (DL) algorithms hold great promise for applications in the field of computational biophysics. In fact, the vast amount of available molecular structures, as well as their notable complexity, constitutes an ideal context in…
In this paper, we study the computation of curvatures at the singular points of algebraic curves and surfaces. The idea is to convert the problem to compute the curvatures of the corresponding regular parametric curves and surfaces, which…
Writing an uncomplicated, robust, and scalable three-dimensional convex hull algorithm is challenging and problematic. This includes, coplanar and collinear issues, numerical accuracy, performance, and complexity trade-offs. While there are…
In this paper we describe an algorithm for implicitizing rational hypersurfaces in case there exists at most a finite number of base points. It is based on a technique exposed in math.AG/0210096, where implicit equations are obtained as…
We present a fully analytic approach for evaluating boundary integrals in two dimensions for Smoothed Particle Hydrodynamics (SPH). Conventional methods often rely on boundary particles or wall re-normalization approaches derived from…
Over the last two decades, scanning tunnelling microscopy (STM) has become one of the most important ways to investigate the structure of crystal surfaces. STM has helped achieve remarkable successes in surface science such as finding the…
Signed distance fields (SDFs) are a widely used implicit surface representation, with broad applications in computer graphics, computer vision, and applied mathematics. To reconstruct an explicit triangle mesh surface corresponding to an…
Computing high-dimensional potential energy surfaces for molecular systems and materials is considered to be a great challenge in computational chemistry with potential impact in a range of areas including the fundamental prediction of…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
We provide a new approach for computing integrals over hypersurfaces in the level set framework. The method is based on the discretization (via simple Riemann sums) of the classical formulation used in the level set framework, with the…
Users frequently seek to fabricate objects whose outer surfaces consist of regions with different surface attributes, such as color or material. Manufacturing such objects in a single piece is often challenging or even impossible. The…
A preconditioned, multipole-accelerated, Krylov-subspace iterative algorithm for the electromagnetic scattering analysis of three dimensional (3D), arbitrary shaped dielectric structures composed of single and multi-layered dielectric…
We study the motion of charged particles constrained to arbitrary two-dimensional curved surfaces but interacting in three-dimensional space via the Coulomb potential. To speed-up the interaction calculations, we use the parallel compute…