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Pauli first noticed the hidden SO(4) symmetry for the Hydrogen atom in the early stages of quantum mechanics [1]. Departing from that symmetry, one can recover the spectrum of a spinless hydrogen atom and the degeneracy of its states…

Symbolic Computation · Computer Science 2021-08-18 Pascal Szriftgiser , Edgardo S. Cheb-Terrab

Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…

Quantum Physics · Physics 2011-03-08 James D. Whitfield , Jacob Biamonte , Alán Aspuru-Guzik

A new computational method is presented to resolve hydrodynamic interactions acting on solid particles immersed in incompressible host fluids. In this method, boundaries between solid particles and host fluids are replaced with a continuous…

Soft Condensed Matter · Physics 2009-11-10 Y. Nakayama , R. Yamamoto

Hydrodynamic theories effectively describe many-body systems out of equilibrium in terms of a few macroscopic parameters. However, such hydrodynamic parameters are difficult to derive from microscopics. Seldom is this challenge more…

This article explains how to apply the computer algebra package GAP (www.gap-system.org) in the computation of the problems in quantum physics, in which the application of Lie algebra is necessary. The article contains several exemplary…

Computational Physics · Physics 2017-09-12 Ichio Kikuchi , Akihito Kikuchi

Hybrid computation combines discrete and continuous dynamics in the form of an entangled mixture inherently present both in various natural phenomena, and in applications ranging from control theory to microbiology. The emergent behaviours…

Logic in Computer Science · Computer Science 2019-07-19 Sergey Goncharov , Renato Neves

Cylindrical algebraic decomposition(CAD) is a key tool in computational algebraic geometry, particularly for quantifier elimination over real-closed fields. When using CAD, there is often a choice for the ordering placed on the variables.…

Symbolic Computation · Computer Science 2014-07-15 Zongyan Huang , Matthew England , David Wilson , James H. Davenport , Lawrence C. Paulson , James Bridge

Statistics and Optimization are foundational to modern Machine Learning. Here, we propose an alternative foundation based on Abstract Algebra, with mathematics that facilitates the analysis of learning. In this approach, the goal of the…

Machine Learning · Computer Science 2025-02-28 Fernando Martin-Maroto , Nabil Abderrahaman , David Mendez , Gonzalo G. de Polavieja

Electrohydrodynamics is a discipline that studies the interaction between fluid motion and electric field. Finite element method, finite difference method and other numerical simulations are effective numerical calculation methods for…

Numerical Analysis · Mathematics 2024-03-22 Li Conghui

With the exception of q-hypergeometric summation, the use of computer algebra packages implementing Zeilberger's "holonomic systems approach" in a broader mathematical sense is less common in the field of q-series and basic hypergeometric…

Symbolic Computation · Computer Science 2016-02-02 Christoph Koutschan , Peter Paule

The Cylindrical Algebraic Decomposition (CAD) algorithm is a comprehensive tool to perform quantifier elimination over real closed fields. CAD has doubly exponential running time, making it infeasible for practical purposes. We propose to…

Discrete Mathematics · Computer Science 2013-01-22 Hari Krishna Malladi , Ambedkar Dukkipati

In this paper, we propose a parallel optimization method for electronic structure calculations based on a single orbital-updating approximation. It is shown by our numerical experiments that the method is efficient and reliable for atomic…

Numerical Analysis · Mathematics 2015-11-20 Xiaoying Dai , Zhuang Liu , Xin Zhang , Aihui Zhou

It is our intention here only to discuss the nature, complexity and tools concerning the design of Smart Help, an expert help facility for aiding users of Computer Algebra Systems. Although the expert help system presented here has been…

Symbolic Computation · Computer Science 2014-05-30 Renato P. dos Santos , Waldir L. Roque

Computer models are used to model complex processes in various disciplines. Often, a key source of uncertainty in the behavior of complex computer models is uncertainty due to unknown model input parameters. Statistical computer model…

Methodology · Statistics 2013-08-02 Won Chang , Murali Haran , Roman Olson , Klaus Keller

When modeling such phenomena as population dynamics, controllable ows, etc., a problem arises of adapting the existing models to a phenomenon under study. For this purpose, we propose to derive new models from the rst principles by…

Symbolic Computation · Computer Science 2018-05-09 D. S. Kulyabov , M. N. Gevorkyan , A. V. Demidova , T. R. Velieva , A. V. Korolkova , L. A. Sevastianov

In this review we discuss the recent progress in the simulation of soft active matter systems and in particular the hydrodynamics of microswimmers using the method of multiparticle collision dynamics, which solves the hydrodynamic flows…

Soft Condensed Matter · Physics 2020-09-03 Andreas Zöttl

This study aims at finding a method for constructing molecular dynamics like models using the formalism of cellular automata for fast simulation of fluid dynamic systems (including compressible phenomena). In as much as the results…

comp-gas · Physics 2009-09-25 Himanshu Agrawal

A numerical model and parallel software for 3D simulations of granular flows have been developed based on the Lagrangian particle (LP) method [R.Samulyak, X. Wang, H.-C. Chen, Lagrangian particle method for compressible fluid dynamics, J.…

Computational Physics · Physics 2022-06-29 Mario Zepeda , Roman Samulyak

Making good predictions of a physical system using a computer code requires the inputs to be carefully specified. Some of these inputs called control variables have to reproduce physical conditions whereas other inputs, called parameters,…

Computation · Statistics 2018-04-04 Guillaume Damblin , Pierre Barbillon , Merlin Keller , Alberto Pasanisi , Eric Parent

A new method for solving systems of linear algebraic equations of a special type arising in solving problems of image reconstruction has been proposed. This method, due to a certain symmetry of the matrix and the choice of the voxel…

Numerical Analysis · Mathematics 2019-08-30 A. A. Alikhanov , A. M. Apekov , Z. A. Kokov , A. O. Belyaev , L. A. Khamukova