Related papers: GPUMCD: a new GPU-oriented Monte Carlo dose calcul…

In the stochastic gradient descent (SGD) for sequential simulations such as the neural stochastic differential equations, the Multilevel Monte Carlo (MLMC) method is known to offer better theoretical computational complexity compared to the…

Obtaining accurate solutions to the Schr\"odinger equation is the key challenge in computational quantum chemistry. Deep-learning-based Variational Monte Carlo (DL-VMC) has recently outperformed conventional approaches in terms of accuracy,…

Triple-GEM detectors are a well known technology in high energy physics. In order to have a complete understanding of their behavior, in parallel with on beam testing, a Monte Carlo code has to be developed to simulate their response to the…

Ab initio Born-Oppenheimer molecular dynamics (AIMD) is a valuable method for simulating physico-chemical processes of complex systems, including reactive systems, and for training machine learning models and force fields. Speed and…

Monte Carlo simulation provides a powerful tool for understanding and exploring thermodynamic phase equilibria in many-particle interacting systems. Among the most physically intuitive simulation methods is Gibbs ensemble Monte Carlo…

We present the GPU version of DeePMD-kit, which, upon training a deep neural network model using ab initio data, can drive extremely large-scale molecular dynamics (MD) simulation with ab initio accuracy. Our tests show that the GPU version…

We describe a highly optimized implementation of MPI domain decomposition in a GPU-enabled, general-purpose molecular dynamics code, HOOMD-blue (Anderson and Glotzer, arXiv:1308.5587). Our approach is inspired by a traditional CPU-based…

The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale…

Statistical depth functions provide center-outward orderings in spaces of dimension larger than one, where a natural ordering does not exist. The numerical evaluation of such depth functions can be computationally prohibitive, even for…

In this paper we describe and demonstrate a C++ code written to determine the trajectory of particles traversing oriented single crystals and a CUDA code written to evaluate the radiation spectra from charged particles with arbitrary…

Radiation Treatment Planning (RTP) is the process of planning the appropriate external beam radiotherapy to combat cancer in human patients. RTP is a complex and compute-intensive task, which often takes a long time (several hours) to…

Two full rotating gantry with different nozzles (Multipurpose nozzle with MLC, Scanning Dedicated nozzle) with conventional cyclotron system is installed and under commissioning for various proton treatment options at Samsung Medical Center…

Due to a hard dependency between time steps, large-scale simulations of gas using the Direct Simulation Monte Carlo (DSMC) method proceed at the pace of the slowest processor. Scalability is therefore achievable only by ensuring that the…

Over the past five years, graphics processing units (GPUs) have had a transformational effect on numerical lattice quantum chromodynamics (LQCD) calculations in nuclear and particle physics. While GPUs have been applied with great success…

Skin dose in radiotherapy is a key issue for reducing patient side effects, but dose calculations in this high-gradient region remains a challenge. To support radiation therapists and medical physicist in their decisions, a computational…

Results of a Monte Carlo code intercomparison exercise for simulations of the dose enhancement from a gold nanoparticle (GNP) irradiated by X-rays have been recently reported. To highlight potential differences between codes, the dose…

Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

Novel radiotherapy techniques like synchrotron X-ray microbeam radiation therapy (MRT), require fast dose distribution predictions that are accurate at the sub-mm level, especially close to tissue/bone/air interfaces. Monte Carlo physics…

In this study, recommendations of the AAPM TG- 43 (U1) report have been followed to characterize the new 192Ir pulse dose rate source, provided by the Applied Radiation Research School, Nuclear Science and Technology Research Institute in…

Cosmological measurements require the calculation of nontrivial quantities over large datasets. The next generation of survey telescopes (such as DES, PanSTARRS, and LSST) will yield measurements of billions of galaxies. The scale of these…