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Classical density functional theory (DFT) is a powerful framework to study inhomogeneous fluids. Its standard form is based on the knowledge of a generating free energy functional. If this is known exactly, then the results obtained by…

Soft Condensed Matter · Physics 2025-05-02 S. M. Tschopp , H. Vahid , A. Sharma , J. M. Brader

It is well-known that subspace migration is stable and effective non-iterative imaging technique in inverse scattering problem. But, for a proper application, geometric features of unknown targets must be considered beforehand. Without this…

Numerical Analysis · Mathematics 2016-01-11 Won-Kwang Park

Long distance excitation energy transfer between a donor and an acceptor embedded in a polymer chain is usually assumed to occur via the Forster mechanism which predicts a 1/R^6 distance dependence of the transfer rate, where R is the…

Statistical Mechanics · Physics 2007-05-23 G. Srinivas , A. Yethiraj , B. Bagchi

A new field of numerical astrophysics is introduced which addresses the solution of large, multidimensional structural or slowly-evolving problems (rotating stars, interacting binaries, thick advective accretion disks, four dimensional…

Astrophysics · Physics 2009-10-30 David L. Meier

First-order phase transitions in many-fermion systems are not detected in the susceptibility analysis of common renormalization-group (RG) approaches. Here we introduce a counterterm technique within the functional renormalization-group…

Strongly Correlated Electrons · Physics 2007-05-23 R. Gersch , J. Reiss , C. Honerkamp

This paper presents a novel closed-form solution for a low-order system frequency response (SFR) model that is accurate for all time periods and an accompanying approximation for representing primary frequency responses at two different…

Systems and Control · Electrical Eng. & Systems 2021-10-05 Julius Susanto , Alireza Fereidouni , Pierluigi Mancarella , Dean Sharafi

Knowing a biomolecule's structure is inherently linked to and a prerequisite for any detailed understanding of its function. Significant effort has gone into developing technologies for structural characterization. These technologies do not…

Data Structures and Algorithms · Computer Science 2017-06-22 Michael Wegner , Oskar Taubert , Alexander Schug , Henning Meyerhenke

A method is presented that, when used in conjunction with single molecule experimental techniques, allows for the extraction of rates and mechanical properties of a biomolecule undergoing transitions between mechanically distinct states.…

Biomolecules · Quantitative Biology 2009-09-29 Darren E. Segall

The impact of leading collective electronic fluctuations on a free energy of a prototype 1D model for molecular systems is considered within the recently developed Fluctuating Local Field (FLF) approach. The FLF method is a non-perturbative…

Strongly Correlated Electrons · Physics 2022-01-14 Yana S. Lyakhova , Evgeny A. Stepanov , Alexey N. Rubtsov

The Fast Fourier Transform (FFT) is a numerical operation that transforms a function into a form comprised of its constituent frequencies and is an integral part of scientific computation and data analysis. The objective of our work is to…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-04 Sudhanshu Kulkarni , Burlen Loring , E. Wes Bethel

Dynamic response evaluation in structural engineering is the process of determining the response of a structure, such as member forces, node displacements, etc when subjected to dynamic loads such as earthquakes, wind, or impact. This is an…

Machine Learning · Computer Science 2023-08-21 Faisal Nissar Malik , James Ricles , Masoud Yari , Malik Arsala Nissar

We introduce a theory of sequential causal inference in which learners in a chain estimate a structural model from their upstream teacher and then pass samples from the model to their downstream student. It extends the population dynamics…

Populations and Evolution · Quantitative Biology 2012-02-28 James P. Crutchfield , Sean Whalen

Statistical learning additions to physically derived mathematical models are gaining traction in the literature. A recent approach has been to augment the underlying physics of the governing equations with data driven Bayesian statistical…

Methodology · Statistics 2022-05-25 Connor Duffin , Edward Cripps , Thomas Stemler , Mark Girolami

Electronic transport properties for single-molecule junctions have been widely measured by several techniques, including mechanically controllable break junctions, electromigration break junctions or by means of scanning tunneling…

Mesoscale and Nanoscale Physics · Physics 2020-07-22 Ferdinand Evers , Richard Korytár , Sumit Tewari , Jan M. van Ruitenbeek

Background: One of the most important current challenges of Software Engineering (SE) research is to provide relevant evidence to practice. In health related fields, Rapid Reviews (RRs) have shown to be an effective method to achieve that…

Software Engineering · Computer Science 2019-06-28 Bruno Cartaxo , Gustavo Pinto , Baldoino Fonseca , Márcio Ribeiro , Pedro Pinheiro , Sergio Soares , Maria Teresa Baldassarre

Efficient structural damage localization remains a challenge in structural health monitoring (SHM), particularly when the problem is coupled with uncertainty of conditions and complexity of structures. Traditional methods simply based on…

Optimization and Control · Mathematics 2025-09-29 Owais Saleem , Tim Suchan , Natalie Rauter , Kathrin Welker

In recent years, there has been discussion in the literature regarding methods of estimating the magnitude of the minimum principal stress from subsurface fracture injection tests, commonly called Diagnostic Fracture Injection Tests…

Geophysics · Physics 2019-04-16 Mark W. McClure

Cell division, aging, and stress recovery triggers spatial reorganization of cellular components in the cytoplasm, including membrane bound organelles, with molecular changes in their compositions and structures. However, it is not clear…

Cell Behavior · Quantitative Biology 2021-09-06 Sarah Lecinski , Jack W Shepherd , Lewis Frame , Imogen Hayton , Chris MacDonald , Mark C Leake

Recent advances in scanning transmission electron microscopy (STEM) allow to observe solid-state transformations and reactions in materials induced by thermal stimulus or electron beam on the atomic level. However, despite the rate at which…

Materials Science · Physics 2019-11-26 Maxim Ziatdinov , Ondrej Dyck , Stephen Jesse , Sergei V. Kalinin

Today's scientists are quickly moving from in vitro to in silico experimentation: they no longer analyze natural phenomena in a petri dish, but instead they build models and simulate them. Managing and analyzing the massive amounts of data…

Databases · Computer Science 2012-08-02 Farhan Tauheed , Thomas Heinis , Felix Shürmann , Henry Markram , Anastasia Ailamaki