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We provide a brief survey of our current developments in the simulation-based design of novel families of mesoscale porous materials using computational kinetic theory. Prospective applications on exascale computers are also briefly…
The use of nuclear emulsions in very large physics experiments is now possible thanks to the recent improvements in the industrial production of emulsions and to the development of fast automated microscopes. In this paper the hardware…
Fluid flow simulation is a highly active area with applications in a wide range of engineering problems and interactive systems. Meshless methods like the Moving Particle Semi-implicit (MPS) are a great alternative to deal efficiently with…
The use of Bayesian adaptive designs for randomised controlled trials has been hindered by the lack of software readily available to statisticians. We have developed a new software package (Bayesian Adaptive Trials Simulator Software -…
We substantially update the capabilities of the open source software package Modules for Experiments in Stellar Astrophysics (MESA), and its one-dimensional stellar evolution module, MESA Star. Improvements in MESA Star's ability to model…
The open source ALPS (Algorithms and Libraries for Physics Simulations) project provides a collection of physics libraries and applications, with a focus on simulations of lattice models and strongly correlated systems. The libraries…
Several physical systems in condensed matter have been modeled approximating their constituent particles as hard objects. The hard spheres model has been indeed one of the cornerstones of the computational and theoretical description in…
Bioelectrochemistry is crucial for understanding biological functions and driving applications in synthetic biology, healthcare, and catalysis. However, current simulation methods fail to capture both the stochastic nature of molecular…
We present release 2.0 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models…
GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest…
Surface simulations are important for accurately modeling particle interactions in experiments where background contributions from surface contaminants can significantly affect detector performance. In rare event searches, such as dark…
Software-based memory-erasure protocols are two-party communication protocols where a verifier instructs a computational device to erase its memory and send a proof of erasure. They aim at guaranteeing that low-cost IoT devices are free of…
Software is now a vital scientific instrument, providing the tools for data collection and analysis across disciplines from bioinformatics and computational physics, to the humanities. The software used in research is often home-grown and…
We have produced a new software package for the simulation of pulsar populations, \textsc{PsrPopPy}, based on the \textsc{Psrpop} package. The codebase has been re-written in Python (save for some external libraries, which remain in their…
We present a novel Relativistic Semi-Implicit Method (RelSIM) for particle-in-cell (PIC) simulations of astrophysical plasmas, implemented in a code framework ready for production runs. While explicit PIC methods have gained widespread…
Computer models are used as replacements for physical experiments in a large variety of applications. Nevertheless, direct use of the computer model for the ultimate scientific objective is often limited by the complexity and cost of the…
This work is a user guide to the FEMPAR scientific software library. FEMPAR is an open-source object-oriented framework for the simulation of partial differential equations (PDEs) using finite element methods on distributed-memory…
Particle accelerator projects share many characteristics with industrial projects. However, experience has shown that best practice of industrial project management is not always well suited to particle accelerator projects. Major…
Perturbative treatments of the lattice dynamics are widely successful for many crystalline materials, their applicability is, however, limited for strongly anharmonic systems, metastable crystal structures and liquids. The full dynamics of…
Cyber-Physical Systems (CPS) allow us to manipulate objects in the physical world by providing a communication bridge between computation and actuation elements. In the current scheme of things, this sought-after control is marred by…