Related papers: Extracting physical observables using macroscopic …

Motion blur can adversely affect a number of vision tasks, hence it is generally considered a nuisance. We instead treat motion blur as a useful signal that allows to compute the motion of objects from a single image. Drawing on the success…

Complex plasmas are low-temperature plasmas that contain micrometer-size particles in addition to the neutral gas particles and the ions and electrons that make up the plasma. The microparticles interact strongly and display a wealth of…

We describe a novel coarse-grained simulation method for modelling the dynamics of globular macromolecules, such as proteins. The macromolecule is treated as a continuum that is subject to thermal fluctuations. The model includes a…

A conceptual model for microscopic-macroscopic slow-fast stochastic systems is considered. A dynamical reduction procedure is presented in order to extract effective dynamics for this kind of systems. Under appropriate assumptions, the…

Several recently proposed semi--automatic and fully--automatic coarse--graining schemes for polymer simulations are discussed. All these techniques derive effective potentials for multi--atom units or super--atoms from atomistic…

Sphere packings are essential to the development of physical models for powders, composite materials, and the atomic structure of the liquid state. There is a strong scientific need to be able to assess the fit of packing models to data,…

In this work we show that macroscopic experiments can be used to investigate microscopic systems. Such macroscopic experiments enable testing the assumptions and results obtained by theoretical considerations or simulations that can not be…

We propose an ensemble algorithm, which provides a new approach for evaluating and summing up a set of function samples. The proposed algorithm is not a quantum algorithm, insofar it does not involve quantum entanglement. The query…

Spectral unmixing is a crucial processing step when analyzing hyperspectral data. In such analysis, most of the work in the literature relies on the widely acknowledged linear mixing model to describe the observed pixels. Unfortunately,…

Remote sensing of magnetic nanoparticles has exciting applications for magnetic nanoparticle hyperthermia and molecular detection. We introduce, simulate, and experimentally demonstrate an innovation---a sensing coil that is geometrically…

Techniques for simulating molecules whose conformations satisfy constraints are presented. A method for selecting appropriate moves in Monte Carlo simulations is given. The resulting moves not only obey the constraints but also maintain…

Physics models typically contain adjustable parameters to reproduce measured data. While some parameters correspond directly to measured features in the data, others are unobservable. These unobservables can, in some cases, cause…

We report new statistical time-series analysis tools providing significant improvements in the rapid, precision extraction of discrete state dynamics from large databases of experimental observations of molecular machines. By building…

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…

The non-stationary evolution of observable quantities in complex systems can frequently be described as a juxtaposition of quasi-stationary spells. Given that standard theoretical and data analysis approaches usually rely on the assumption…

Magnetic nanomaterials are considered, formed by magnetic nanomolecules with high spins. The problem of spin reversal in these materials is analyzed, which is of interest for the possible use of such materials for quantum information…

The sign problem is a notorious problem, which occurs in Monte Carlo simulations of a system with a partition function whose integrand is not positive. One way to simulate such a system is to use the factorization method where one enforces…

Biomolecular force fields have been traditionally derived based on a mixture of reference quantum chemistry data and experimental information obtained on small fragments. However, the possibility to run extensive molecular dynamics…

It is well known that conventional simulation algorithms are inefficient for the statistical description of macroscopic systems exactly at the critical point due to the divergence of the corresponding relaxation time (critical slowing…

Computer vision and machine learning tools offer an exciting new way for automatically analyzing and categorizing information from complex computer simulations. Here we design an ensemble machine learning framework that can independently…