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We present a software framework called CARAVAN, which was developed for comprehensive simulations on massive parallel computers. The framework runs user-developed simulators with various input parameters in parallel without requiring the…
In the present work, a new computational framework for structural topology optimization based on the concept of moving deformable components is proposed. Compared with the traditional pixel or node point-based solution framework, the…
We introduce MOS, a software application designed to facilitate the deployment, integration, management, and analysis of mathematical optimization models. MOS approaches mathematical optimization at a higher level of abstraction than…
The scientific computing landscape has evolved dramatically in the past few years, with new schemes for organizing and storing data that reflect the growth in size and complexity of astronomical data sets. In response to this changing…
MPI derived datatypes are an abstraction that simplifies handling of non-contiguous data in MPI applications. These datatypes are recursively constructed at runtime from primitive Named Types defined in the MPI standard. More recently, the…
A numerical framework based on network partition and operator splitting is developed to solve nonlinear differential equations of large-scale dynamic processes encountered in physics, chemistry and biology. Under the assumption that those…
TMAC is a toolbox written in C++11 that implements algorithms based on a set of modern methods for large-scale optimization. It covers a variety of optimization problems, which can be both smooth and nonsmooth, convex and nonconvex, as well…
We present a new software pipeline -- PyMorph -- for automated estimation of structural parameters of galaxies. Both parametric fits through a two dimensional bulge disk decomposition as well as structural parameter measurements like…
Scanning probe microscopy (SPM) is a valuable technique by which one can investigate the physical characteristics of the surfaces of materials. However, its widespread use is hampered by the time-consuming nature of running an experiment…
In this work, we propose a numerical approach for simulations of large deformations of interfaces in a level set framework. To obtain a fast and viable numerical solution in both time and space, temporal discretization is based on the…
NIMASTEP is a dedicated numerical software developed by us, which allows one to integrate the osculating motion (using cartesian coordinates) in a Newtonian approach of an object considered as a point-mass orbiting a homogeneous central…
Today's world of scientific software for High Energy Physics (HEP) is powered by x86 code, while the future will be much more reliant on accelerators like GPUs and FPGAs. The portable parallelization strategies (PPS) project of the High…
We present a numerical code for multi-component simulation of the galactic evolution. Our code includes the following parts: $N$-body is used to evolve dark matter, stellar dynamics and dust grains, gas dynamics is based on TVD-MUSCL scheme…
Robotic prospecting for critical resources on the Moon, such as ilmenite, rare earth elements, and water ice, requires robust exploration methods given the diverse terrain and harsh environmental conditions. Although numerous analog field…
HEALPix -- the Hierarchical Equal Area iso-Latitude Pixelization -- is a versatile data structure with an associated library of computational algorithms and visualization software that supports fast scientific applications executable…
Atomic-scale simulations have progressed tremendously over the past decade, largely due to the availability of machine-learning interatomic potentials. These potentials combine the accuracy of electronic structure calculations with the…
Manapy is a parallel, unstructured, finite-volume based solver for the solution of partial differential equations (PDE). The framework is written using Python, it is object-oriented, and is organized in such a way that it is easy to…
Dynamo is a full-stack software solution for scientific data management. Dynamo's architecture is modular, extensible, and customizable, making the software suitable for managing data in a wide range of installation scales, from a few…
Safe UAV navigation is challenging due to the complex environment structures, dynamic obstacles, and uncertainties from measurement noises and unpredictable moving obstacle behaviors. Although plenty of recent works achieve safe navigation…
Scientific workflows bridge scientific challenges with computational resources. While dispel4py, a stream-based workflow system, offers mappings to parallel enactment engines like MPI or Multiprocessing, its optimization primarily focuses…