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Molecular conformation generation, a critical aspect of computational chemistry, involves producing the three-dimensional conformer geometry for a given molecule. Generating molecular conformation via diffusion requires learning to reverse…

Computational Physics · Physics 2023-10-10 Zihan Zhou , Ruiying Liu , Chaolong Ying , Ruimao Zhang , Tianshu Yu

Diffusive Radiation is a new type of radiation predicted to occur in randomly inhomogeneous media due to the multiple scattering of pseudophotons. This theoretical effect is now observed experimentally. The radiation is generated by the…

Cross-diffusion systems arise as hydrodynamic limits of lattice multi-species interacting particle models. The objective of this work is to provide a numerical scheme for the simulation of the cross-diffusion system identified in [J.…

Numerical Analysis · Mathematics 2023-09-06 Jad Dabaghi , Virginie Ehrlacher , Christoph Strössner

An imaging refractrometer can be used to describe the properties of a high-energy density plasma by analyzing the transverse intensity distribution of a laser beam that has passed through the plasma. The output of the refractrometer can be…

Plasma Physics · Physics 2025-02-18 A. Rososhek , B. R. Kusse , W. M. Potter , N. J. Wilson , E. S. Lavine , D. A. Hammer

We describe an experimental technique to generate a quasi-monochromatic field with any arbitrary spatial coherence properties that can be described by the cross-spectral density function, $W(\mathbf{r_1,r_2})$. This is done by using a…

We describe a diffraction microscopy technique based on refractive optics to study structural variations in crystals. The X-ray beam diffracted by a crystal was magnified by beryllium parabolic refractive lenses on a 2D X-ray camera. The…

Optics · Physics 2014-12-16 Thomas Roth , Carsten Detlefs , Irina Snigireva , Anatoly Snigirev

An approach to diffraction tomography is investigated for two-dimensional image reconstruction of objects surrounded by an arbitrarily-shaped curve of sources and receivers. Based on the integral theorem of Helmholtz and Kirchhoff, the…

Mathematical Physics · Physics 2014-11-20 G. T. Clement

The evolution of RHEED reflexes intensity during reconstructed transitions characterizes (often implicitly) reconstructed surface state peculiarities. The approaches of a correct RHEED data interpretation, aimed at obtaining information…

Materials Science · Physics 2017-12-18 A. V. Vasev , M. A. Putyato , V. V. Preobrazhenskii

A method is proposed for the calculation of diffusion constants for one-dimensional maps exhibiting deterministic diffusion. The procedure is based on harmonic inversion and uses a known relation between the diffusion constant and the…

Chaotic Dynamics · Physics 2009-11-07 K. Weibert , J. Main , G. Wunner

Light propagation in a medium made of densely packed dielectric spheres is investigated by using a rigorous diffraction theory. It is shown that a substantial suppression of the local density of states occurs in spectral domains where the…

Optics · Physics 2015-05-13 Carsten Rockstuhl , Falk Lederer

Inverse wave scattering aims at determining the properties of an object using data on how the object scatters incoming waves. In order to collect information, sensors are put in different locations to send and receive waves from each other.…

Machine Learning · Computer Science 2026-01-22 Hanyang Jiang , Yuehaw Khoo , Haizhao Yang

Using machine learning with a variational formula for diffusivity, we recast diffusion as a sum of individual contributions to diffusion--called "kinosons"--and compute their statistical distribution to model a complex multicomponent alloy.…

Materials Science · Physics 2024-05-02 Soham Chattopadhyay , Dallas R. Trinkle

Refraction and diffraction of waves in natural crystals and artificial crystals formed by anisotropically scattering centers are considered. A detailed study of the electromagnetic wave refraction in a two-dimensional photonic crystal…

Optics · Physics 2012-05-30 V. G. Baryshevsky , E. A. Gurnevich

Novel optical elements containing semitransparent wavelike films embedded into the bulk of transparent material, which form a reflection image without transmitted light distortion, are studied. The dynamic theory of light diffraction by a…

Optics · Physics 2018-05-23 Anatoly M. Smolovich , Valery Chernov

This paper concerns the reconstruction of a diffusion coefficient in an elliptic equation from knowledge of several power densities. The power density is the product of the diffusion coefficient with the square of the modulus of the…

Analysis of PDEs · Mathematics 2012-03-07 Guillaume Bal , Eric Bonnetier , Francois Monard , Faouzi Triki

Conical refraction occurs when a beam of light travels through an appropriately cut biaxial crystal. By focussing the conically refracted beam through a high numerical aperture microscope objective, conical refraction optical tweezers can…

Optics · Physics 2014-12-09 Craig McDonald , Craig McDougall , Edik Rafailov , David McGloin

This paper presents a simple and effective wideband method for the determination of material properties, such as the complex index of refraction and the complex permittivity and permeability. The method is explicit (non-iterative) and…

Instrumentation and Detectors · Physics 2010-12-02 Khattiya Chalapat , Kari Sarvala , Jian Li , G. S. Paraoanu

We proposed a novel approach to coherent imaging of dynamic samples. The inter-frame similarity of the sample's local structures is found to be a powerful constraint in phasing a sequence of diffraction patterns. We devised a new image…

Optics · Physics 2024-07-11 Pengju Sheng , Fucai Zhang

This paper introduces an approach to endow generative diffusion processes the ability to satisfy and certify compliance with constraints and physical principles. The proposed method recast the traditional sampling process of generative…

Machine Learning · Computer Science 2024-11-05 Jacob K Christopher , Stephen Baek , Ferdinando Fioretto

A rigorous reduction of the many-body wave scattering problem to solving a linear algebraic system is given bypassing solving the usual system of integral equation. The limiting case of infinitely many small particles embedded into a medium…

Mathematical Physics · Physics 2009-11-13 A. G. Ramm