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We present a first-principle numerical study of charge transport in a realistic two-dimensional tight-binding model of organic molecular semiconductors. We use the Hybrid Monte Carlo (HMC) algorithm to simulate the full quantum dynamics of…

Materials Science · Physics 2024-09-12 Johann Ostmeyer , Tahereh Nematiaram , Alessandro Troisi , Pavel Buividovich

On the base of Diffusion Monte-Carlo method it is developed a new Complex Diffusion Monte-Carlo (CDMC) method allowing to simulate the quantum systems with complex wave function. There are no approximations on the calculation of modulus and…

Condensed Matter · Physics 2007-05-23 B. Abdullaev , M. Musakhanov , A. Nakamura

Significance: Monte Carlo (MC) methods are the gold-standard for modeling light-tissue interactions due to their accuracy. Mesh-based MC (MMC) offers enhanced precision for complex tissue structures using tetrahedral mesh models. Despite…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-01 Shijie Yan , Douglas Dwyer , David R. Kaeli , Qianqian Fang

Monte Carlo rendering algorithms often utilize correlations between pixels to improve efficiency and enhance image quality. For real-time applications in particular, repeated reservoir resampling offers a powerful framework to reuse samples…

Graphics · Computer Science 2022-11-02 Rohan Sawhney , Daqi Lin , Markus Kettunen , Benedikt Bitterli , Ravi Ramamoorthi , Chris Wyman , Matt Pharr

Residual entropy, which reflects the degrees of freedom in a system at absolute zero temperature, is crucial for understanding quantum and classical ground states. Despite its key role in explaining low-temperature phenomena and ground…

Statistical Mechanics · Physics 2025-02-20 Zenan Dai , Xiao Yan Xu

Quantum Monte Carlo methods are powerful tools for studying quantum many-body systems but face difficulties in accessing excited states and in treating sign problems. We present a continuous-time path-integral Monte Carlo method for…

Strongly Correlated Electrons · Physics 2025-12-16 Abhishek Karna , Hansen S. Wu , Shailesh Chandrasekharan , Ribhu K. Kaul

In a multi-electrode device, the motion of free charge carriers generated by ionizing radiation induces currents on all the electrodes surrounding the active region [1]. The amount of charge induced in each sensitive electrode is a function…

Materials Science · Physics 2014-03-14 Jacopo Forneris , David Jamieson , Gabriele Giacomini , Changyi Yang , Ettore Vittone

The Hamiltonian Monte Carlo (HMC) method allows sampling from continuous densities. Favorable scaling with dimension has led to wide adoption of HMC by the statistics community. Modern auto-differentiating software should allow more…

Computation · Statistics 2022-08-17 Ian Langmore , Michael Dikovsky , Scott Geraedts , Peter Norgaard , Rob von Behren

We present a numerical implementation of radiative transfer based on an explicitly photon-conserving advection scheme, where radiative fluxes over the cell interfaces of a structured or unstructured mesh are calculated with a second-order…

Cosmology and Nongalactic Astrophysics · Physics 2015-05-20 Margarita Petkova , Volker Springel

Sampling-based motion planning methods, while effective in high-dimensional spaces, often suffer from inefficiencies due to irregular sampling distributions, leading to suboptimal exploration of the configuration space. In this paper, we…

Robotics · Computer Science 2025-08-28 Makram Chahine , T. Konstantin Rusch , Zach J. Patterson , Daniela Rus

A path integral Monte Carlo method (PIMC) based on Feynman-Kac formula for mixed boundary conditions of elliptic equations is proposed to solve the forward problem of electrical impedance tomography (EIT) on the boundary to obtain…

Numerical Analysis · Mathematics 2019-08-01 Yijing Zhou , Wei Cai

Two different frameworks are developed to model the wave field generated by a transducer and propagating through one or more interfaces, and a Quasi-Monte Carlo (QMC) integration scheme is used to numerically evaluate their results. The…

Classical Physics · Physics 2026-04-27 André Lello de Almeida , Melody Png , Bo Lan

We develop an all-electron path integral Monte Carlo (PIMC) method with free-particle nodes for warm dense matter and apply it to water and carbon plasmas. We thereby extend PIMC studies beyond hydrogen and helium to elements with core…

Materials Science · Physics 2012-03-22 Kevin Driver , Burkhard Militzer

We propose in this work a Monte Carlo method for three dimensional scalar radiative transfer equations with non-integrable, space-dependent scattering kernels. Such kernels typically account for long-range statistical features, and arise…

Numerical Analysis · Mathematics 2023-07-19 Christophe Gomez , Olivier Pinaud

The Messenger Interface Monte-Carlo Mappings V (M^3) is a photoionization code adopting the fully self-consistent Monte-Carlo radiative transfer technique, which presents a major advance over previous photoionization models with simple…

Astrophysics of Galaxies · Physics 2022-04-04 Yifei Jin , Lisa Kewley , Ralph Sutherland

Efficient uncertainty quantification algorithms are key to understand the propagation of uncertainty -- from uncertain input parameters to uncertain output quantities -- in high resolution mathematical models of brain physiology. Advanced…

Computational Engineering, Finance, and Science · Computer Science 2023-01-10 Matteo Croci , Vegard Vinje , Marie E. Rognes

Ultracold atomic systems have been of great research interest in the past, with more recent attention being paid to systems of mixed species. In this work we carry out non-perturbative Path Integral Monte Carlo (PIMC) simulations of N…

Quantum Gases · Physics 2017-10-19 William G. Dawkins , Alexandros Gezerlis

We develop an asynchronous event-driven First-Passage Kinetic Monte Carlo (FPKMC) algorithm for continuous time and space systems involving multiple diffusing and reacting species of spherical particles in two and three dimensions. The…

Materials Science · Physics 2015-05-13 A. Donev , V. V. Bulatov , T. Oppelstrup , G. H. Gilmer , B. Sadigh , M. H. Kalos

In many models used in engineering and science, material properties are uncertain or spatially varying. For example, in geophysics, and porous media flow in particular, the uncertain permeability of the material is modelled as a random…

Numerical Analysis · Mathematics 2019-07-30 Pieterjan Robbe , Dirk Nuyens , Stefan Vandewalle

Aims. We present an implementation of an algorithm for 3D time-dependent Monte Carlo radiative transfer. It allows one to simulate temperature distributions as well as images and spectral energy distributions of the scattered light and…

Instrumentation and Methods for Astrophysics · Physics 2022-12-14 A. Bensberg , S. Wolf
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