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Kinetic Monte Carlo (KMC) is an important computational tool in physics and chemistry. In contrast to standard Monte Carlo, KMC permits the description of time dependent dynamical processes and is not restricted to systems in equilibrium.…

Computational Physics · Physics 2020-04-22 William Robert Saunders , James Grant , Eike Hermann Müller , Ian Thompson

Developing devices using disordered organic semiconductors requires accurate and practical models of charge transport. In these materials, charge transport occurs through partially delocalised states in an intermediate regime between…

Chemical Physics · Physics 2023-04-18 Jacob T. Willson , William Liu , Daniel Balzer , Ivan Kassal

A novel class of non-reversible Markov chain Monte Carlo schemes relying on continuous-time piecewise-deterministic Markov Processes has recently emerged. In these algorithms, the state of the Markov process evolves according to a…

Methodology · Statistics 2018-05-16 Paul Vanetti , Alexandre Bouchard-Côté , George Deligiannidis , Arnaud Doucet

Colloids have a striking relevance in a wide spectrum of industrial formulations, spanning from personal care products to protective paints. Their behaviour can be easily influenced by extremely weak forces, which disturb their…

Soft Condensed Matter · Physics 2018-06-14 Daniel Corbett , Alejandro Cuetos , Matthew Dennison , Alessandro Patti

Incorporating speed probability distribution to the computation of the route planning in car navigation systems guarantees more accurate and precise responses. In this paper, we propose a novel approach for dynamically selecting the number…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-01-21 Emanuele Vitali , Davide Gadioli , Gianluca Palermo , Martin Golasowski , Joao Bispo , Pedro Pinto , Jan Martinovic , Katerina Slaninova , Joao M. P. Cardoso , Cristina Silvano

Monte Carlo approaches to radiation transport have several attractive properties such as simplicity of implementation, high accuracy, and good parallel scaling. Moreover, Monte Carlo methods can handle complicated geometries and are…

Solar and Stellar Astrophysics · Physics 2015-06-04 Ernazar Abdikamalov , Adam Burrows , Christian D. Ott , Frank Löffler , Evan O'Connor , Joshua C. Dolence , Erik Schnetter

This work covers methodology of solving QCD evolution equation of the parton distribution using Markovian Monte Carlo (MMC) algorithms in a class of models ranging from DGLAP to CCFM. One of the purposes of the above MMCs is to test the…

High Energy Physics - Phenomenology · Physics 2010-03-25 K. Golec-Biernat , S. Jadach , W. Placzek , M. Skrzypek

Hamiltonian Monte Carlo (HMC) is a popular Markov chain Monte Carlo (MCMC) algorithm that generates proposals for a Metropolis-Hastings algorithm by simulating the dynamics of a Hamiltonian system. However, HMC is sensitive to large time…

Machine Learning · Statistics 2016-09-15 Xiaoyu Lu , Valerio Perrone , Leonard Hasenclever , Yee Whye Teh , Sebastian J. Vollmer

Convolutional networks (ConvNets) have shown impressive capability to solve various vision tasks. Nevertheless, the trade-off between performance and efficiency is still a challenge for a feasible model deployment on resource-constrained…

Computer Vision and Pattern Recognition · Computer Science 2021-06-15 Longqing Ye

A simple Monte Carlo (MC) algorithm for the simulation of the passage of low-energy gamma rays and electrons through any material medium is presented. The algorithm includes several approximations that accelerate the simulation while…

Accelerator Physics · Physics 2023-10-25 Víctor Moya , Jaime Rosado , Fernando Arqueros

We present a cross-language C++/Python program for simulations of quantum mechanical systems with the use of Quantum Monte Carlo (QMC) methods. We describe a system for which to apply QMC, the algorithms of variational Monte Carlo and…

Computational Physics · Physics 2009-11-13 J. K. Nilsen

OpenMC is an open source Monte Carlo neutral particle transport application that has recently been ported to GPU using the OpenMP target offloading model. We examine the performance of OpenMC at scale on the Frontier, Polaris, and Aurora…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-03-20 John Tramm , Paul Romano , Patrick Shriwise , Amanda Lund , Johannes Doerfert , Patrick Steinbrecher , Andrew Siegel , Gavin Ridley

Conic programming has well-documented merits in a gamut of signal processing and machine learning tasks. This contribution revisits a recently developed first-order conic descent (CD) solver, and advances it in three aspects: intuition,…

Optimization and Control · Mathematics 2023-08-16 Bingcong Li , Georgios B. Giannakis

Polymer-assisted ion transport underpins both energy storage technologies and emerging neuromorphic computing devices. Efficient modeling of ion migration is essential for understanding the performance of batteries and memristors, but it…

Recently there have been exciting developments in Monte Carlo methods, with the development of new MCMC and sequential Monte Carlo (SMC) algorithms which are based on continuous-time, rather than discrete-time, Markov processes. This has…

Computation · Statistics 2020-09-29 Paul Fearnhead , Joris Bierkens , Murray Pollock , Gareth O Roberts

Micro-core architectures combine many simple, low memory, low power-consuming CPU cores onto a single chip. Potentially providing significant performance and low power consumption, this technology is not only of great interest in embedded,…

Programming Languages · Computer Science 2021-02-04 Maurice Jamieson , Nick Brown

Ultracold neutrons (UCN) with kinetic energies up to 300 neV can be stored in material or magnetic confinements for hundreds of seconds. This makes them a very useful tool for probing fundamental symmetries of nature, by searching for…

Instrumentation and Detectors · Physics 2018-12-26 N. J. Ayres , E. Chanel , B. Clement , P. G. Harris , R. Picker , G. Pignol , W. Schreyer , G. Zsigmond

We present the Monte Carlo with Absorbing Markov Chains (MCAMC) method for extremely long kinetic Monte Carlo simulations. The MCAMC algorithm does not modify the system dynamics. It is extremely useful for models with discrete state spaces…

Materials Science · Physics 2007-05-23 M. A. Novotny , Shannon M. Wheeler

Monte Carlo methods are widely used for neutron transport simulations at least partly because of the accuracy they bring to the modeling of these problems. However, the computational burden associated with the slow convergence rate of Monte…

Computational Physics · Physics 2025-09-30 Jordan Northrop , Ilham Variansyah , Todd Palmer , Camille Palmer

Computing stands to be radically improved by neuromorphic computing (NMC) approaches inspired by the brain's incredible efficiency and capabilities. Most NMC research, which aims to replicate the brain's computational structure and…

Neural and Evolutionary Computing · Computer Science 2022-03-02 J. Darby Smith , Aaron J. Hill , Leah E. Reeder , Brian C. Franke , Richard B. Lehoucq , Ojas Parekh , William Severa , James B. Aimone