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GenASiS Basics provides modern Fortran classes furnishing extensible object-oriented utilitarian functionality for large-scale physics simulations on distributed memory supercomputers. This functionality includes physical units and…
Advances in imaging methods such as electron microscopy, tomography and other modalities are enabling high-resolution reconstructions of cellular and organelle geometries. Such advances pave the way for using these geometries for…
Deep learning methods have gained popularity in high energy physics for fast modeling of particle showers in detectors. Detailed simulation frameworks such as the gold standard Geant4 are computationally intensive, and current deep…
Monte Carlo simulation is an essential tool in emission tomography that can assist in the design of new medical imaging devices, the optimization of acquisition protocols, and the development or assessment of image reconstruction algorithms…
Gaussian Processes (GPs) are expressive models for capturing signal statistics and expressing prediction uncertainty. As a result, the robotics community has gathered interest in leveraging these methods for inference, planning, and…
We present the implementation of GAtor, a massively parallel, first principles genetic algorithm (GA) for molecular crystal structure prediction. GAtor is written in Python and currently interfaces with the FHI-aims code to perform local…
We develop a PyTorch-based Graph Network Simulator (GNS) that learns physics and predicts the flow behavior of particulate and fluid systems. GNS discretizes the domain with nodes representing a collection of material points and the links…
Making general particle transport simulation for high-energy physics (HEP) single-instruction-multiple-thread (SIMT) friendly, to take advantage of accelerator hardware, is an important alternative for boosting the throughput of simulation…
All major weather and climate applications are currently developed using languages such as Fortran or C++. This is typical in the domain of high performance computing (HPC), where efficient execution is an important concern. Unfortunately,…
The development and implementation of GEAR-RT, a radiative transfer solver using the M1 closure in the open source code SWIFT, is presented, and validated using standard tests for radiative transfer. GEAR-RT is modeled after RAMSES-RT…
In this study, we exhibit a number elementary strategies that might be at disposal in diverse computational applications in the GEANT4 simulations with the purpose of hemispherical particle sources. To further detail, we initially generate…
Geant4 has been used throughout the nuclear and high-energy physics community to simulate energy depositions in various detectors and materials. These simulations have mostly been run with a source beam outside the detector. In the case of…
Total-body positron emission tomography (PET) imaging has the potential to transform medical care of a number of diseases and augment our knowledge of systems biology. Various detector designs and geometries are currently under development…
Modern software systems are executed on a runtime stack with layers (virtualization, storage, trusted execution, etc.) each incurring an execution and/or monetary cost, which may be mitigated by finding suitable parameter configurations.…
Genarris is an open-source Python package for generating random molecular crystal structures with physical constraints for seeding crystal structure prediction algorithms and training machine learning models. Here we present a new version…
We present an evaluation of a simulated cosmic ray shower, based on {\sc geant4} and {\sc top-c}, which tracks all the particles in the shower. {\sc top-c} (Task Oriented Parallel C) provides a framework for parallel algorithm development…
Simulations of particle showers in calorimeters are computationally time-consuming, as they have to reproduce both energy depositions and their considerable fluctuations. A new approach to ultra-fast simulations are generative models where…
De-excitation $\gamma$ cascades from neutron captures form a dominant background to MeV-scale signals. The Geant4 Monte Carlo simulation toolkit is widely used to model backgrounds in nuclear and particle physics experiments. While its…
For several years, attempts have been made to interface Geant4 and other software packages with the aim of simulating the complete response of a gaseous particle detector. In such a simulation, Geant4 is always responsible for the primary…
The engineering design of a particle detector is usually performed in a Computer Aided Design (CAD) program, and simulation of the detector's performance can be done with a Geant4-based program. However, transferring the detector design…