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In this work, we propose a novel method for continuous real-time measurement of the dynamics of the nonlinear refractive index n2. This is particularly important for characterizing phenomena or materials (such as biological tissues, gases…

Predicting the binding structure of a small molecule ligand to a protein -- a task known as molecular docking -- is critical to drug design. Recent deep learning methods that treat docking as a regression problem have decreased runtime…

生物大分子 · 定量生物学 2023-02-14 Gabriele Corso , Hannes Stärk , Bowen Jing , Regina Barzilay , Tommi Jaakkola

The mean square displacement per collision of a molecule immersed in a gas at equilibrium is given by its mean square displacement between two consecutive collisions (mean square free path) corrected by a prefactor in the form of a series.…

软凝聚态物质 · 物理学 2024-07-03 Santos Bravo Yuste , Rubén Gómez González , Vicente Garzó

A one-dimensional method for reconstructing the structure of prestellar and protostellar clouds is presented. The method is based on radiative transfer computations and a comparison of theoretical and observed intensity distributions at…

天体物理仪器与方法 · 物理学 2015-05-20 Ya. N. Pavlyuchenkov , D. S. Wiebe , A. M. Fateeva , T. S. Vasyunina

We investigate the effective diffusion of a tracer immersed in an active particle bath consisting of self-propelled particles. Utilising the Dean's method developed for the equilibrium bath and extending it to the nonequilibrium situation,…

软凝聚态物质 · 物理学 2024-06-27 Mengkai Feng , Zhonghuai Hou

The electron and photon transport processes in spectroscopy techniques described by the invariant embedding theory is here revisited. We report a convergence method to obtain closed analytical solutions to the 3D integro-differential…

材料科学 · 物理学 2010-06-22 Carlos Figueroa , Horacio Brizuela , Silvia P. Heluani

A non-equilibrium thermodynamics model able to analyze the combined effect of diffusion and adsorption in porous materials is proposed. The model considers the coupled dynamics of the diffusive phase, described by a diffusion type equation,…

材料科学 · 物理学 2015-06-04 I. Santamaria-Holek , Z. J. Grzywna , J. M. Rubi

We measure diffusion coefficients in the lamellar phase of the nonionic binary system C$_{12}$EO$_6$/H$_2$O using fluorescence recovery after photobleaching. The diffusion coefficient across the lamellae shows an abrupt increase upon…

软凝聚态物质 · 物理学 2015-04-20 Doru Constantin , Patrick Oswald

Detectors often suffer from performance drop due to domain gap between training and testing data. Recent methods explore diffusion models applied to domain generalization (DG) and adaptation (DA) tasks, but still struggle with large…

计算机视觉与模式识别 · 计算机科学 2025-07-01 Boyong He , Yuxiang Ji , Zhuoyue Tan , Liaoni Wu

Recently, the intrinsic sampling method has been developed in order to obtain, from molecular simulations, the intrinsic structure of the liquid-vapor interface that is presupposed in the classical capillary wave theory. Our purpose here is…

软凝聚态物质 · 物理学 2009-11-13 Daniel Duque , Pedro Tarazona , Enrique Chacón

In this work, we present a novel analytical model for tracer dispersion in laminar flow through porous media. Based on a straightforward physical argument, it describes the generic behavior of dispersion over a wide range of Peclet numbers…

流体动力学 · 物理学 2012-01-24 Boudewijn Ph. van Milligen , Paul D. Bons

We discuss the potentials of several experimental configurations dedicated to direct measurements of charged cosmic ray (CR) nuclei at energies $\gsim$ 100 GeV/n. Within a two-zone propagation model for stable CRs, we calculate light…

天体物理学 · 物理学 2009-11-10 A. Castellina , F. Donato

Accurately estimating friction coefficients between arbitrary material pairs is critical for robotics, digital fabrication, and physics-based simulation, but exhaustive pairwise testing scales quadratically with the number of materials. We…

机器人学 · 计算机科学 2026-04-28 Zhendong Wang , Huamin Wang

Tracer diffusion in crowded environments is central to many biological and soft matter systems, but quantitative frameworks for linking tracer motion to environmental structure remain limited. Here, we study the transport of rigid tracers…

软凝聚态物质 · 物理学 2026-05-07 Jinseok Lee , Tong Lin , Mengyang Gu , Yimin Luo

Anisotropic diffusion processes emerge in various fields such as transport in biological tissue and diffusion in liquid crystals. In such systems, the motion is described by a diffusion tensor. For a proper characterization of processes…

数据分析、统计与概率 · 物理学 2013-11-14 Mario Heidernätsch , Michael Bauer , Günter Radons

A new method ( PI-DFT ) which combines path integrals and density functional theory is proposed as a pathway to many fields of physics. Within path integral theory it is possible to construct particle densities without explicitly…

凝聚态物理 · 物理学 2007-05-23 Peter Borrmann

We study the coherent inelastic diffraction of very weakly bound two body clusters from a material transmission grating. We show that internal transitions of the clusters can lead to new separate peaks in the diffraction pattern whose…

量子物理 · 物理学 2009-11-07 Martin Stoll , Thorsten Koehler

Compartmental models based on tracer mass balance are extensively used in clinical and pre-clinical nuclear medicine in order to obtain quantitative information on tracer metabolism in the biological tissue. This paper is the second of a…

医学物理 · 物理学 2018-09-14 Delbary Fabrice , Garbarino Sara

A method for estimating the relative content of crystalline phases of a multiphase sample, based on probabilistic analysis of the intensities of the diffraction pattern reflexes, has been developed. The method is based on the introduction…

材料科学 · 物理学 2023-11-21 S. V. Gabielkov , I. V. Zhyganiuk , A. D. Skorbun

Complex biological systems have been successfully modeled by biochemical and genetic interaction networks, typically gathered from high-throughput (HTP) data. These networks can be used to infer functional relationships between genes or…

分子网络 · 定量生物学 2015-04-13 Hyunghoon Cho , Bonnie Berger , Jian Peng