Python bindings for the open source electromagnetic simulator Meep

Meep is a broadly used open source package for finite-difference time-domain electromagnetic simulations. Python bindings for Meep make it easier to use for researchers and open promising opportunities for integration with other packages in the Python ecosystem. As this project shows, implementing Python-Meep offers benefits for specific disciplines and for the wider research community

An innovative collaborative high-performance platform for simulation

This paper presents an innovative collaborative visualization platform for the simulation-based design applications. Following the scope and the main objectives, the general architecture based on the internet standard technologies is explained. Based on a multi-domain approach, several demonstrators are involved crossing interests of industrial and academic communities. Related to the field of process engineering, we adapt and deploy a web-based architecture research application on the targeted platform

Transparency in Complex Computational Systems

Scientists depend on complex computational systems that are often ineliminably opaque, to the detriment of our ability to give scientific explanations and detect artifacts. Some philosophers have s..

Development of Distributed Research Center for analysis of regional climatic and environmental changes

We present an approach and first results of a collaborative project being carried out by a joint team of researchers from the Institute of Monitoring of Climatic and Ecological Systems, Russia and Earth Systems Research Center UNH, USA. Its main objective is development of a hardware and software platform prototype of a Distributed Research Center (DRC) for monitoring and projecting of regional climatic and environmental changes in the Northern extratropical areas. The DRC should provide the specialists working in climate related sciences and decision-makers with accurate and detailed climatic characteristics for the selected area and reliable and affordable tools for their in-depth statistical analysis and studies of the effects of climate change. Within the framework of the project, new approaches to cloud processing and analysis of large geospatial datasets (big geospatial data) inherent to climate change studies are developed and deployed on technical platforms of both institutions. We discuss here the state of the art in this domain, describe web based information-computational systems developed by the partners, justify the methods chosen to reach the project goal, and briefly list the results obtained so far

Improvements to the APBS biomolecular solvation software suite

The Adaptive Poisson-Boltzmann Solver (APBS) software was developed to solve the equations of continuum electrostatics for large biomolecular assemblages that has provided impact in the study of a broad range of chemical, biological, and biomedical applications. APBS addresses three key technology challenges for understanding solvation and electrostatics in biomedical applications: accurate and efficient models for biomolecular solvation and electrostatics, robust and scalable software for applying those theories to biomolecular systems, and mechanisms for sharing and analyzing biomolecular electrostatics data in the scientific community. To address new research applications and advancing computational capabilities, we have continually updated APBS and its suite of accompanying software since its release in 2001. In this manuscript, we discuss the models and capabilities that have recently been implemented within the APBS software package including: a Poisson-Boltzmann analytical and a semi-analytical solver, an optimized boundary element solver, a geometry-based geometric flow solvation model, a graph theory based algorithm for determining p$K_a$ values, and an improved web-based visualization tool for viewing electrostatics

The role of graphics super-workstations in a supercomputing environment

A new class of very powerful workstations has recently become available which integrate near supercomputer computational performance with very powerful and high quality graphics capability. These graphics super-workstations are expected to play an increasingly important role in providing an enhanced environment for supercomputer users. Their potential uses include: off-loading the supercomputer (by serving as stand-alone processors, by post-processing of the output of supercomputer calculations, and by distributed or shared processing), scientific visualization (understanding of results, communication of results), and by real time interaction with the supercomputer (to steer an iterative computation, to abort a bad run, or to explore and develop new algorithms)

Numerical simulation of the stress-strain state of the dental system

We present mathematical models, computational algorithms and software, which can be used for prediction of results of prosthetic treatment. More interest issue is biomechanics of the periodontal complex because any prosthesis is accompanied by a risk of overloading the supporting elements. Such risk can be avoided by the proper load distribution and prediction of stresses that occur during the use of dentures. We developed the mathematical model of the periodontal complex and its software implementation. This model is based on linear elasticity theory and allows to calculate the stress and strain fields in periodontal ligament and jawbone. The input parameters for the developed model can be divided into two groups. The first group of parameters describes the mechanical properties of periodontal ligament, teeth and jawbone (for example, elasticity of periodontal ligament etc.). The second group characterized the geometric properties of objects: the size of the teeth, their spatial coordinates, the size of periodontal ligament etc. The mechanical properties are the same for almost all, but the input of geometrical data is complicated because of their individual characteristics. In this connection, we develop algorithms and software for processing of images obtained by computed tomography (CT) scanner and for constructing individual digital model of the tooth-periodontal ligament-jawbone system of the patient. Integration of models and algorithms described allows to carry out biomechanical analysis on three-dimensional digital model and to select prosthesis design.Comment: 19 pages, 9 figure

Kassiopeia: A Modern, Extensible C++ Particle Tracking Package

The Kassiopeia particle tracking framework is an object-oriented software package using modern C++ techniques, written originally to meet the needs of the KATRIN collaboration. Kassiopeia features a new algorithmic paradigm for particle tracking simulations which targets experiments containing complex geometries and electromagnetic fields, with high priority put on calculation efficiency, customizability, extensibility, and ease of use for novice programmers. To solve Kassiopeia's target physics problem the software is capable of simulating particle trajectories governed by arbitrarily complex differential equations of motion, continuous physics processes that may in part be modeled as terms perturbing that equation of motion, stochastic processes that occur in flight such as bulk scattering and decay, and stochastic surface processes occuring at interfaces, including transmission and reflection effects. This entire set of computations takes place against the backdrop of a rich geometry package which serves a variety of roles, including initialization of electromagnetic field simulations and the support of state-dependent algorithm-swapping and behavioral changes as a particle's state evolves. Thanks to the very general approach taken by Kassiopeia it can be used by other experiments facing similar challenges when calculating particle trajectories in electromagnetic fields. It is publicly available at https://github.com/KATRIN-Experiment/Kassiopei