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Recent advances in both theory and computational power have created opportunities to simulate biomolecular processes more efficiently using adaptive ensemble simulations. Ensemble simulations are now widely used to compute a number of…
A numerical framework is developed to solve various types of PDEs on complicated domains, including steady and time-dependent, non-linear and non-local PDEs, with different boundary conditions that can also include non-linear and non-local…
We present the Cosmology and Astrophysics with MachinE Learning Simulations --CAMELS-- project. CAMELS is a suite of 4,233 cosmological simulations of $(25~h^{-1}{\rm Mpc})^3$ volume each: 2,184 state-of-the-art (magneto-)hydrodynamic…
Developing and testing novel control and motion planning algorithms for aerial vehicles can be a challenging task, with the robotics community relying more than ever on 3D simulation technologies to evaluate the performance of new…
A large scientific community depends on the precise modelling of complex processes in particle cascades in various types of matter. These models are used most prevalently in cosmic-ray physics, astrophysical-neutrino physics, and gamma-ray…
We develop the Mechanic package, which is a new numerical framework for dynamical astronomy. The aim of our software is to help in massive numerical simulations by efficient task management and unified data storage. The code is built on top…
FLAME is a software package to perform a wide range of atomistic simulations for exploring the potential energy surfaces (PES) of complex condensed matter systems. The range of methods include molecular dynamics simulations to sample free…
Simulation has become the evaluation method of choice for many areas of distributing computing research. However, most existing simulation packages have several limitations on the size and complexity of the system being modeled. Fine…
The programmable metasurface is regarded as one of the most promising transformative technologies for next-generation wireless system applications. Due to the lack of effective perception ability of the external electromagnetic environment,…
We describe the AMReX suite of astrophysics codes and their application to modeling problems in stellar astrophysics. Maestro is tuned to efficiently model subsonic convective flows while Castro models the highly compressible flows…
A template-based generic programming approach was presented in a previous paper that separates the development effort of programming a physical model from that of computing additional quantities, such as derivatives, needed for embedded…
To reduce and analyze astronomical images, astronomers can rely on a wide range of libraries providing low-level implementations of legacy algorithms. However, combining these routines into robust and functional pipelines requires a major…
Upcoming and future astronomy research facilities will systematically generate terabyte-sized data sets moving astronomy into the Petascale data era. While such facilities will provide astronomers with unprecedented levels of accuracy and…
Today's astronomical projects need computational systems capable to store and analyze large amounts of scientific data, to effectively share data with other research Institutes and to easily implement information services to present data…
Characterizing stellar convection in multiple dimensions is a topic at the forefront of stellar astrophysics. Numerical simulations are an essential tool for this task. We present an extension of the existing numerical tool-kit A-MaZe that…
We introduce statistical techniques required to handle complex computer models with potential applications to astronomy. Computer experiments play a critical role in almost all fields of scientific research and engineering. These computer…
Global variations in terrain appearance raise a major challenge for satellite image analysis, leading to poor model performance when training on locations that differ from those encountered at test time. This remains true even with recent…
An integrated computational framework is introduced to study complex engineering systems through physics-based ensemble simulations on heterogeneous supercomputers. The framework is primarily designed for the quantitative assessment of…
Simulation ensembles are a common tool in physics for understanding how a model outcome depends on input parameters. We analyze an active particle system, where each particle can use energy from its surroundings to propel itself. A…
Modelling & Simulation (M&S) is broadly used in real scenarios where making physical modifications could be highly expensive. With the so-called Simulation Software-as-a-Service (SimSaaS), researchers could take advantage of the huge amount…