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Path integral Monte Carlo (PIMC) and path integral molecular dynamics (PIMD) provide the golden standard for the ab initio simulations of identical particles. In this work, we achieved significant GPU acceleration based on PIMD, which is…

Computational Physics · Physics 2026-03-31 Yunuo Xiong

Vertex models represent confluent tissue by polygonal or polyhedral tilings of space, with the individual cell interacting via force laws that depend on both the geometry of the cells and the topology of the tessellation. This dependence on…

Biological Physics · Physics 2017-09-13 Daniel M. Sussman

This paper studies the numerical computation of integrals, representing estimates or predictions, over the output $f(x)$ of a computational model with respect to a distribution $p(\mathrm{d}x)$ over uncertain inputs $x$ to the model. For…

Methodology · Statistics 2017-12-13 Chris. J. Oates , Steven Niederer , Angela Lee , François-Xavier Briol , Mark Girolami

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…

Chemical Physics · Physics 2015-07-03 Fang Liu , Nathan Luehr , Heather J. Kulik , Todd J. Martínez

We present a novel approach which aims at high-performance uncertainty quantification for cardiac electrophysiology simulations. Employing the monodomain equation to model the transmembrane potential inside the cardiac cells, we evaluate…

Numerical Analysis · Mathematics 2021-05-06 Seif Ben Bader , Helmut Harbrecht , Rolf Krause , Michael Multerer , Alessio Quaglino , Marc Schmidlin

Simulation of the monodomain equation, crucial for modeling the heart's electrical activity, faces scalability limits when traditional numerical methods only parallelize in space. To optimize the use of large multi-processor computers by…

Numerical Analysis · Mathematics 2024-05-31 Giacomo Rosilho de Souza , Simone Pezzuto , Rolf Krause

The presented multi-scale, closed-loop blood circulation model includes arterial, venous, and portal venous systems, heart-pulmonary circulation, and micro-circulation in capillaries. One-dimensional models simulate large blood vessel flow,…

Medical Physics · Physics 2024-04-03 Jiawei Liu , Hiroshi Suito

Recently, graphics processors (GPUs) have been increasingly leveraged in a variety of scientific computing applications. However, architectural differences between CPUs and GPUs necessitate the development of algorithms that take advantage…

Mathematical Software · Computer Science 2015-01-05 Jonathan Wong , Ellen Kuhl , Eric Darve

The main goal in many fields in the empirical sciences is to discover causal relationships among a set of variables from observational data. PC algorithm is one of the promising solutions to learn underlying causal structure by performing a…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-01-22 Behrooz Zarebavani , Foad Jafarinejad , Matin Hashemi , Saber Salehkaleybar

In the framework of accurate and efficient segregated schemes for 3D cardiac electromechanics and 0D cardiovascular models, we propose here a novel numerical approach to address the coupled 3D-0D problem introduced in Part I of this…

Calcification has significant influence over cardiovascular diseases and interventions. Detailed characterization of calcification is thus desired for predictive modeling, but calcified heart meshes for physics-driven simulations are still…

Computational Engineering, Finance, and Science · Computer Science 2024-03-11 Daniel H. Pak , Minliang Liu , Theodore Kim , Caglar Ozturk , Raymond McKay , Ellen T. Roche , Rudolph Gleason , James S. Duncan

Graphics processing units (GPUs) are recently being used to an increasing degree for general computational purposes. This development is motivated by their theoretical peak performance, which significantly exceeds that of broadly available…

Computational Physics · Physics 2015-03-17 Martin Weigel

Stochastic simulation techniques employed for the analysis of portfolios of insurance/reinsurance risk, often referred to as `Aggregate Risk Analysis', can benefit from exploiting state-of-the-art high-performance computing platforms. In…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-08-19 A. K. Bahl , O. Baltzer , A. Rau-Chaplin , B. Varghese , A. Whiteway

We present a technique designed for parallelizing large rigid body simulations, capable of exploiting multiple CPU cores within a computer and across a network. Our approach can be applied to simulate both unilateral and bilateral…

Graphics · Computer Science 2024-03-27 Manas Kale , Paul G. Kry

Fractional flow reserve (FFR) is the gold standard for diagnosing coronary artery disease (CAD). FFRCT uses computational fluid dynamics (CFD) to evaluate FFR non-invasively by simulating coronary flow in geometries reconstructed from…

Quantum computers are becoming practical for computing numerous applications. However, simulating quantum computing on classical computers is still demanding yet useful because current quantum computers are limited because of computer…

Quantum Physics · Physics 2023-08-08 Jun Doi , Hiroshi Horii , Christopher Wood

The recent trend of using Graphics Processing Units (GPU's) for high performance computations is driven by the high ratio of price performance for these units, complemented by their cost effectiveness. At first glance, computational fluid…

Computational Engineering, Finance, and Science · Computer Science 2018-02-13 Kiril S. Shterev

One of the goals of personalized medicine is to tailor diagnostics to individual patients. Diagnostics are performed in practice by measuring quantities, called biomarkers, that indicate the existence and progress of a disease. In common…

Medical Physics · Physics 2024-12-20 Diego Renner , Georgios Kissas

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

Patient-specific computational models of the heart are powerful tools for cardiovascular research and medicine, with demonstrated applications in treatment planning, device evaluation, and surgical decision-making. Yet constructing such…

Medical Physics · Physics 2026-04-21 Aaron L. Brown , Ju Liu , Daniel B. Ennis , Alison L. Marsden