English
Related papers

Related papers: Composite Molecules and Decoupling in Reaction Dif…

200 papers

Focusing on a famous class of interacting diffusion processes called Ginzburg-Landau (GL) dynamics, we extend the Macroscopic Fluctuations Theory (MFT) to these systems in the case where the interactions are long-range, and consequently,…

Mathematical Physics · Physics 2024-05-15 Cédric Bernardin , Raphaël Chetrite

Molecular structure generation is a fundamental problem that involves determining the 3D positions of molecules' constituents. It has crucial biological applications, such as molecular docking, protein folding, and molecular design. Recent…

Machine Learning · Computer Science 2025-08-27 Wenyin Zhou , Christopher Iliffe Sprague , Vsevolod Viliuga , Matteo Tadiello , Arne Elofsson , Hossein Azizpour

Molecular conformer generation is a fundamental task in computational chemistry. Several machine learning approaches have been developed, but none have outperformed state-of-the-art cheminformatics methods. We propose torsional diffusion, a…

Chemical Physics · Physics 2023-03-02 Bowen Jing , Gabriele Corso , Jeffrey Chang , Regina Barzilay , Tommi Jaakkola

The observation of light super-partners from a supersymmetric extension to the Standard Model is an intensely sought-after experimental outcome, providing an explanation for the stabilization of the electroweak scale and indicating the…

High Energy Physics - Phenomenology · Physics 2017-03-01 Paul Jackson , Christopher Rogan , Marco Santoni

In Bhattacharya et al. (Science Advances, 2020), a set of chemical reactions involved in the dynamics of actin waves in cells was studied. Both at the microscopic level, where the individual chemical reactions are directly modelled using…

Analysis of PDEs · Mathematics 2023-02-01 Christian Hamster , Peter van Heijster

Generic coarse-grained models are designed such that they are (i) simple and (ii) computationally efficient. They do not aim at representing particular materials, but classes of materials, hence they can offer insight into universal…

Soft Condensed Matter · Physics 2009-02-25 Friederike Schmid

The objective of the present paper is to use the well known Ross-Macdonald models as a prototype, incorporating spatial movements, identifying different times scales and proving a singular perturbation result using a system of local and…

Analysis of PDEs · Mathematics 2023-07-19 Marcone C. Pereira , Sergio Oliva , Larissa M. Sartori

General conditions are established under which reaction-cross-diffusion systems can undergo spatiotemporal pattern-forming instabilities. Recent work has focused on designing systems theoretically and experimentally to exhibit patterns with…

Pattern Formation and Solitons · Physics 2025-08-26 Edgardo Villar-Sepúlveda , Alan R. Champneys , Andrew L. Krause

We investigate a recently proposed cross-diffusion system modelling the growth of gliobastoma taking into account size exclusion both in the migration and proliferation process. In addition to degenerate nonlinear cross-diffusion the model…

Analysis of PDEs · Mathematics 2017-10-12 Martin Burger , Patricia Friele , Jan-Frederik Pietschmann

Different models are described where non-interacting particles generate dissipative effective forces by the mixing of infinitely many soft normal modes. The effective action is calculated for these models within the Closed Time Path…

High Energy Physics - Theory · Physics 2015-02-16 Janos Polonyi

First steps towards developing a new perturbation theory for molecular liquids are taken. By choosing a new form of splitting the site-site potential functions between molecules, we will get a set of atomic fluids as the reference system…

Chemical Physics · Physics 2017-11-21 Mehrdad Khanpour

Many recent advancements in quantum computing leverage strong drives on nonlinear systems for state preparation, signal amplification, or gate operation. However, the interplay within such strongly driven system introduces multi-scale…

Quantum Physics · Physics 2024-08-02 Leon Bello , Wentao Fan , Aditya Gandotra , Hakan E. Türeci

We investigate the application of conformable derivatives to model critical phenomena near continuous phase transitions. By incorporating a deformation parameter into the differential structure, we derive unified expressions for…

Statistical Mechanics · Physics 2026-01-13 José Weberszpil , Ralf Metzler

Stochastic chemical systems with diffusion are modeled with a reaction-diffusion master equation. On a macroscopic level, the governing equation is a reaction-diffusion equation for the averages of the chemical species. On a mesoscopic…

Numerical Analysis · Mathematics 2009-03-06 Stefan Engblom , Lars Ferm , Andreas Hellander , Per Lötstedt

The aim of this article is to study a Cahn-Hilliard model for a multicomponent mixture with cross-diffusion effects, degenerate mobility and where only one of the species does separate from the others. We define a notion of weak solution…

Analysis of PDEs · Mathematics 2020-07-03 Virginie Ehrlacher , Greta Marino , Jan-Frederik Pietschmann

We introduce a Darcy-scale model to describe compressible multi-component flow in a fully saturated porous medium. In order to capture cross-diffusive effects between the different species correctly, we make use of the Maxwell--Stefan…

Analysis of PDEs · Mathematics 2020-12-02 Lukas Ostrowski , Christian Rohde

We present a unified framework for the study of late time cosmic acceleration. Using methods of effective field theory, we show that existing proposals for late time acceleration can be subsumed in a single framework, rather than many…

High Energy Physics - Theory · Physics 2014-11-20 Minjoon Park , Scott Watson , Kathryn M. Zurek

While the properties of materials at microscopic scales are well described by fundamental quantum mechanical equations and electronic structure theories, the emergent behavior of mesoscopic or macroscopic composites is no longer governed…

Applied Physics · Physics 2025-07-10 Lifeng Hao , Fan Li , Yongqi Li , Siyong Wang , Xiaodong He

This article presents a theoretical study of the scaling properties of the kinetic energy spectrum in compressible turbulence. From the fundamental symmetries and linear transformations of the microscopic action, we derive exact relations…

Fluid Dynamics · Physics 2025-09-16 Olivier Coquand

We introduce a new class of nonlocal kinetic equations and nonlocal Fokker-Planck equations associated with an effective generalized thermodynamical formalism. These equations have a rich physical and mathematical structure that can…

Statistical Mechanics · Physics 2007-05-23 Pierre-Henri Chavanis