Symbolic-Numeric Algorithms for Computer Analysis of Spheroidal Quantum Dot Models

A computation scheme for solving elliptic boundary value problems with axially symmetric confining potentials using different sets of one-parameter basis functions is presented. The efficiency of the proposed symbolic-numerical algorithms implemented in Maple is shown by examples of spheroidal quantum dot models, for which energy spectra and eigenfunctions versus the spheroid aspect ratio were calculated within the conventional effective mass approximation. Critical values of the aspect ratio, at which the discrete spectrum of models with finite-wall potentials is transformed into a continuous one in strong dimensional quantization regime, were revealed using the exact and adiabatic classifications.Comment: 6 figures, Submitted to Proc. of The 12th International Workshop on Computer Algebra in Scientific Computing (CASC 2010) Tsakhkadzor, Armenia, September 5 - 12, 201

Three real-space discretization techniques in electronic structure calculations

A characteristic feature of the state-of-the-art of real-space methods in electronic structure calculations is the diversity of the techniques used in the discretization of the relevant partial differential equations. In this context, the main approaches include finite-difference methods, various types of finite-elements and wavelets. This paper reports on the results of several code development projects that approach problems related to the electronic structure using these three different discretization methods. We review the ideas behind these methods, give examples of their applications, and discuss their similarities and differences.Comment: 39 pages, 10 figures, accepted to a special issue of "physica status solidi (b) - basic solid state physics" devoted to the CECAM workshop "State of the art developments and perspectives of real-space electronic structure techniques in condensed matter and molecular physics". v2: Minor stylistic and typographical changes, partly inspired by referee comment

In Memory of Vladimir Gerdt

Center for Computational Methods in Applied Mathematics of RUDN, Professor V.P. Gerdt, whose passing was a great loss to the scientific center and the computer algebra community. The article provides biographical information about V.P. Gerdt, talks about his contribution to the development of computer algebra in Russia and the world. At the end there are the author’s personal memories of V.P. Gerdt.Настоящая статья - мемориальная, она посвящена памяти руководителя научного центра вычислительных методов в прикладной математике РУДН, профессора В.П. Гердта, чей уход стал невосполнимой потерей для научного центра и всего сообщества компьютерной алгебры. В статье приведены биографические сведения о В.П. Гердте, рассказано о его вкладе в развитие компьютерной алгебры в России и мире. В конце приведены личные воспоминания автора о В.П. Гердте

Computational Methods in Science and Engineering : Proceedings of the Workshop SimLabs@KIT, November 29 - 30, 2010, Karlsruhe, Germany

In this proceedings volume we provide a compilation of article contributions equally covering applications from different research fields and ranging from capacity up to capability computing. Besides classical computing aspects such as parallelization, the focus of these proceedings is on multi-scale approaches and methods for tackling algorithm and data complexity. Also practical aspects regarding the usage of the HPC infrastructure and available tools and software at the SCC are presented

Complexity, Emergent Systems and Complex Biological Systems:\ud Complex Systems Theory and Biodynamics. [Edited book by I.C. Baianu, with listed contributors (2011)]

An overview is presented of System dynamics, the study of the behaviour of complex systems, Dynamical system in mathematics Dynamic programming in computer science and control theory, Complex systems biology, Neurodynamics and Psychodynamics.\u