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Reliable theoretical predictions of noncovalent interaction energies, which are important e.g. in drug-design and hydrogen-storage applications, belong to longstanding challenges of contemporary quantum chemistry. In this respect, the…

Chemical Physics · Physics 2016-06-06 Matúš Dubecký , René Derian , Petr Jurečka , Lubos Mitas , Pavel Hobza , Michal Otyepka

We study a one-dimensional totally asymmetric exclusion process with random particle attachments and detachments in the bulk. The resulting dynamics leads to unexpected stationary regimes for large but finite systems. Such regimes are…

Statistical Mechanics · Physics 2007-05-23 A. Parmeggiani , T. Franosch , E. Frey

We present in this paper a hybrid, Multi-Level Monte Carlo (MLMC) method for solving the neutral particle transport equation. MLMC methods, originally developed to solve parametric integration problems, work by using a cheap, low fidelity…

Numerical Analysis · Mathematics 2025-08-06 Vincent N. Novellino , Dmitriy Y. Anistratov

The overwhelming evidence that the core collapse supernova mechanism is inherently multidimensional, the complexity of the physical processes involved, and the increasing evidence from simulations that the explosion is marginal presents…

Sub-continuum gas conduction is an essentially important phenomenon in disparate fields of applications ranging from aerospace vehicles to biomedical sensors, and has been the focus of many computational studies over the past decades. These…

Mesoscale and Nanoscale Physics · Physics 2023-12-29 Greg I. Acosta , Malachi Hood , Mohammad Ghashami

We investigate the accuracy of the recently proposed nonclassical transport equation. This equation contains an extra independent variable compared to the classical transport equation (the path-length $s$), and models particle transport…

Nuclear Theory · Physics 2016-11-08 Richard Vasques , Kai Krycki , Rachel N. Slaybaugh

In this paper, we show that unbalanced optimal transport provides a convenient framework to handle reaction and diffusion processes in a unified metric framework. We use a constructive method, alternating minimizing movements for the…

Analysis of PDEs · Mathematics 2017-04-18 Thomas Gallouët , Maxime Laborde , Léonard Monsaingeon

We formulate a covariant version of Maxwell-like fracton electrodynamics in six dimensions using a symmetric tensor gauge field with scalar gauge symmetry $\delta A_{\mu\nu}=\partial_\mu\partial_\nu\Lambda$. This provides a relativistic…

High Energy Physics - Theory · Physics 2026-04-20 Nicola Maggiore

Non-monotonic retention profiles (NRP) have been observed in numerous studies of colloidal-nano flows in porous media. For the first time, we explain the phenomenon by distributed particle properties (size, shape, surface charge). We…

Soft Condensed Matter · Physics 2019-05-21 Gabriel Malgaresi , Ben Collins , Paul Alvaro , Pavel Bedrikovetsky

We study heat conduction in a one-dimensional chain of particles with longitudinal as well as transverse motions. The particles are connected by two-dimensional harmonic springs together with bending angle interactions. The problem is…

Statistical Mechanics · Physics 2009-11-10 Jian-Sheng Wang , Baowen Li

We discuss a method by which quantum fluctuations can be included in microscopic transport models based on wave packets that are not energy eigenstates. By including the next-to-leading order term in the cumulant expansion of the…

Nuclear Theory · Physics 2009-10-30 A. Ohnishi , J. Randrup

A simplified transient energy-transport system for semiconductors subject to mixed Dirichlet-Neumann boundary conditions is analyzed. The model is formally derived from the non-isothermal hydrodynamic equations in a particular vanishing…

Analysis of PDEs · Mathematics 2012-06-26 Ansgar Jüngel , René Pinnau , Elisa Röhrig

The relaxation dynamics of correlated electron transport (ET) along molecular chains is studied based on a substantially improved numerically exact path integral Monte Carlo (PIMC) approach. As archetypical model we consider a Hubbard chain…

Statistical Mechanics · Physics 2009-11-11 L. Muehlbacher , J. Ankerhold , A. Komnik

With the help of a semi-classical kinetic theory, a new collision kernel is proposed, which simultaneously conserves the energy-momentum tensor and the spin tensor of a relativistic fluid of spin-1/2 particles irrespective of the frame and…

High Energy Physics - Phenomenology · Physics 2025-03-12 Samapan Bhadury

Quantum correlation and hot-carrier transport represent two fundamentally distinct regimes of electronic conduction, rarely accessible within the same device. Here, we report a state-of-the-art monolayer transition metal dichalcogenides…

Mesoscale and Nanoscale Physics · Physics 2025-11-11 Debottam Daw , Houcine Bouzid , Sung-Gyu Lee , Wujoon Cha , Ki Kang Kim , Min-kyu Joo , Yan Wang , Manish Chhowalla , Young Hee Lee

Static and dynamic structure factors and various transport coefficients are computed for a Lennard-Jones model of a binary fluid (A,B) with a symmetrical miscibility gap, varying both temperature and relative concentration of the mixture.…

Statistical Mechanics · Physics 2009-11-10 Subir K. Das , Jürgen Horbach , Kurt Binder

The Iterative Quasi-Monte Carlo method, or iQMC, replaces standard quadrature techniques used in deterministic linear solvers with Quasi-Monte Carlo simulation for more accurate and efficient solutions to the neutron transport equation.…

Computational Physics · Physics 2023-06-21 Samuel Pasmann , Ilham Variansyah , C. T. Kelley , Ryan G. McClarren

We present results from a hybrid description of Cu+Cu collisions using 3+1 dimensional hydrodynamics (MUSIC) for the bulk evolution and a Monte-Carlo simulation (MARTINI) for the evolution of high momentum partons in the hydrodynamical…

High Energy Physics - Phenomenology · Physics 2011-05-05 Bjoern Schenke , Sangyong Jeon , Charles Gale

A method is presented which allows one to introduce collective coordinates self-consistently, in distinction to the Caldeira-Leggett model. It is demonstrated how the partition function Z for the total nuclear system can be calculated to…

Nuclear Theory · Physics 2009-11-10 Christian Rummel , Helmut Hofmann

We study the effect of separate chemical and kinetic freeze-outs to the ideal hydrodynamical flow in Au+Au collisions at RHIC (sqrt(s_NN) = 200 GeV energy). Unlike in earlier studies we explore how these effects can be counteracted by…

Nuclear Theory · Physics 2008-11-26 Pasi Huovinen