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In the calculation of thermodynamic properties and three dimensional structures of macromolecules, such as proteins, it is important to have a good algorithm for computing solvent accessible surface area of macromolecules. Here we propose a…

Condensed Matter · Physics 2007-05-23 Shura Hayryan , Chin-Kun Hu , Jaroslav Skřivánek , Edik Hayryan , Imrich Pokorny

We describe a Maple package that serves at least four purposes. First, one can use it to compute whether or not a given polyhedral structure is Zometool constructible. Second, one can use it to manipulate Zometool objects, for example to…

Computational Geometry · Computer Science 2021-04-05 Benoit Charbonneau , Spencer Whitehead

This paper shows how numerical methods on a regular grid in a box can be used to generate numerical schemes for problems in general smooth domains contained in the box with no need for a domain specific discretization. The focus is mainly…

Numerical Analysis · Mathematics 2016-04-14 Patrick Guidotti

Computer algebra is widely used in various fields of mathematics, physics and other sciences. The simplification of tensor expressions is an important special case of computer algebra. In this paper, we consider the reduction of tensor…

Symbolic Computation · Computer Science 2019-05-01 A. Kryukov , G. Shpiz

In this paper we propose an idea of constructing a macro--scale matrix system given a micro--scale matrix linear system. Then the macro--scale system is solved at cheaper computing costs. The method uses the idea of the generalized…

Numerical Analysis · Mathematics 2022-01-27 Kanghun Cho , Roktaek Lim , Dongwoo Sheen

Many important problems in astrophysics, space physics, and geophysics involve flows of (possibly ionized) gases in the vicinity of a spherical object, such as a star or planet. The geometry of such a system naturally favors numerical…

Computational Physics · Physics 2020-04-01 V. Florinski , D. S. Balsara , S. Garain , K. F. Gurski

The rapid growth in scale and complexity of both computational and observational astrophysics over the past decade necessitates efficient and intuitive methods for examining and visualizing large datasets. Here, I present {\it AstroBlend},…

Instrumentation and Methods for Astrophysics · Physics 2016-02-11 J. P. Naiman

A brief characteristic of the specialized computer algebra system GRG_EC intended for symbolic computations in the field of general relativity is given.

General Relativity and Quantum Cosmology · Physics 2007-05-23 S. Tertychniy

Studies in thermodynamics often require the reduction of some first or second order partial derivatives in terms of a smaller basic set. A simple algorithm to perform such a reduction is presented here, together with a review of earlier…

Computational Physics · Physics 2014-02-11 Jacques H. H. Perk

Machine learning (ML) is increasingly becoming a common tool in computational chemistry. At the same time, the rapid development of ML methods requires a flexible software framework for designing custom workflows. MLatom 3 is a program…

We survey results in algebraic complexity theory, focusing on matrix multiplication. Our goals are (i.) to show how open questions in algebraic complexity theory are naturally posed as questions in geometry and representation theory, (ii.)…

Computational Complexity · Computer Science 2007-05-23 J. M. Landsberg

Computing the envelope of deforming planar domains is a significant and challenging problem with a wide range of potential applications. We approximate the envelope using circular arc splines, curves that balance geometric flexibility and…

Computational Geometry · Computer Science 2025-12-01 Jana Vráblíková , Bert Jüttler

Projective geometry provides the preferred framework for most implementations of Euclidean space in graphics applications. Translations and rotations are both linear transformations in projective geometry, which helps when it comes to…

Computational Geometry · Computer Science 2007-05-23 Chris Doran , Anthony Lasenby , Joan Lasenby

The goal of this paper is to achieve a computational model and corresponding efficient algorithm for obtaining a sparse representation of the fitting surface to the given scattered data. The basic idea of the model is to utilize the…

Numerical Analysis · Mathematics 2017-04-27 Yong-Xia Hao , Chong-Jun Li , Ren-Hong Wang

We review some recent applications of machine learning to algebraic geometry and physics. Since problems in algebraic geometry can typically be reformulated as mappings between tensors, this makes them particularly amenable to supervised…

High Energy Physics - Theory · Physics 2022-04-25 Jiakang Bao , Yang-Hui He , Elli Heyes , Edward Hirst

This paper introduces a new global optimization algorithm for solving the generalized linear multiplicative problem (GLMP). The algorithm starts by introducing $\bar{p}$ new variables and applying a logarithmic transformation to convert the…

Optimization and Control · Mathematics 2024-01-03 Bo Zhang

During the last few years several new results on packing problems were obtained using a blend of tools from semidefinite optimization, polynomial optimization, and harmonic analysis. We survey some of these results and the techniques…

Optimization and Control · Mathematics 2016-02-10 Fernando Mário de Oliveira Filho , Frank Vallentin

In this paper we investigate and compare different gradient algorithms designed for the domain expression of the shape derivative. Our main focus is to examine the usefulness of kernel reproducing Hilbert spaces for PDE constrained shape…

Optimization and Control · Mathematics 2016-04-20 Martin Eigel , Kevin Sturm

An adaptation of the Particle-Particle/Particle-Mesh (P3M) code to the special purpose hardware GRAPE is presented. The short range force is calculated by a four chip GRAPE-3A board, while the rest of the calculation is performed on a Sun…

Astrophysics · Physics 2009-10-22 Philippe P. Brieu , FJ Summers , Jeremiah P. Ostriker