Related papers: BRTSim, a general-purpose computational solver for…
We consider in this paper a challenging problem of simulating fluid flows, in complex multiscale media possessing multi-continuum background. As an effort to handle this obstacle, model reduction is employed. In \cite{rh2}, homogenization…
Demand for enterprise data warehouse solutions to support real-time Online Transaction Processing (OLTP) queries as well as long-running Online Analytical Processing (OLAP) workloads is growing. Greenplum database is traditionally known as…
Biochemical networks play a crucial role in biological systems, implementing a broad range of vital functions. They normally operate at low copy numbers and in spatial settings, but this is often ignored and well-stirred conditions are…
The birth of the lattice Boltzmann method (LBM) fulfils a dream that simple arithmetic calculations can simulate complex fluid flows without solving complicated partial differential flow equations. Its power and potential of resolving more…
Biochemical reactions typically occur at low copy numbers, but at once in crowded and diverse environments. Space and stochasticity therefore play an essential role in biochemical networks. Spatial-stochastic simulations have become a…
Modeling and direct numerical simulation of particle-laden flows have a tremendous variety of applications in science and engineering across a vast spectrum of scales from pollution dispersion in the atmosphere, to fluidization in the…
Wastewater treatment plants (WWTPs) need digital-twin-style decision support tools that can simulate plant response under prescribed control plans, tolerate irregular and missing sensing, and remain informative over 12-36 h planning…
We introduce SurfFlow, an open-source high-throughput workflow package designed for automated first-principles calculations of surface energies in arbitrary crystals. Our package offers a comprehensive solution capable of handling…
Floods are an increasingly common global threat, causing emergencies and severe damage to infrastructure. During crises, organisations such as the World Food Programme use remotely sensed imagery, typically obtained through drones, for…
Computing the equilibrium properties of complex systems, such as free energy differences, is often hampered by rare events in the dynamics. Enhanced sampling methods may be used in order to speed up sampling by, for example, using high…
This paper introduces MRTA-Sim, a Python/ROS2/Gazebo simulator for testing approaches to Multi-Robot Task Allocation (MRTA) problems on simulated robots in complex, indoor environments. Grid-based approaches to MRTA problems can be too…
The network of biochemical reactions inside living organisms is characterized by an overwhelming complexity which stems from the sheer number of reactions and from the complicated topology of biochemical cycles. However the high speed of…
Concern of toxic compounds and their, potentially more harmful degradation products, present in aquatic environment alarmed scientific community and research on the development of novel technologies for wastewater treatment had become of…
The design and optimization of photobioreactors (PBR) can benefit from the development of robust and yet quantitatively accurate computational models, that incorporate the complex interplay of fundamental phenomena. At a minimum, the…
In this study a new numerical approach of the fluid dynamic, the lattice Boltzmann method (LBM), is used to solved the stream in a atmospheric Argon-nitrogen plasma jet. The axial symmetry and the variation of density, viscosity and…
Vibrational spectroscopy is an indispensable analytical tool that provides structural fingerprints for molecules, solids, and interfaces thereof. This study introduces THeSeuSS (THz Spectra Simulations Software) - an automated computational…
Multispecies contaminant transport in the Earth's subsurface is commonly modelled using advection-dispersion equations coupled via first-order reactions. Analytical and semi-analytical solutions for such problems are highly sought after but…
A novel single MRT-featured lattice Boltzmann method (SmrtLBM) is introduced. The intricate algorithm of the multiple-relaxation-time (MRT) collision operator is reimagined and distilled into a streamlined, single-relaxation-time-like…
Complex colloidal fluids, such as emulsions stabilized by complex shaped particles, play an important role in many industrial applications. However, understanding their physics requires a study at sufficiently large length scales while…
This work presents a new iteration of the Human Navigation Simulator (HuNavSim), a novel open-source tool for the simulation of different human-agent navigation behaviors in scenarios with mobile robots. The tool, programmed under the ROS 2…