Related papers: Symmetry and magnetic structure determination: Dev…
There is ample evidence for magnetic reconnection in the solar system, but it is a nontrivial task to visualize, to determine the proper approaches and frames to study, and in turn to elucidate the physical processes at work in reconnection…
Machine learning techniques have found their way into computational chemistry as indispensable tools to accelerate atomistic simulations and materials design. In addition, machine learning approaches hold the potential to boost the…
A refinement of manifold data is a computational process, which produces a denser set of discrete data from a given one. Such refinements are closely related to multiresolution representations of manifold data by pyramid transforms, and…
We present a synchrotron-based X-ray scattering technique which allows disentangling magnetic properties of heterogeneous systems with nanopatterned surfaces. This technique combines the nmrange spatial resolution of surface morphology…
Backtrack search is a fundamental technique for computing with finite permutation groups, which has been formulated in terms of points, ordered partitions, and graphs. We provide a framework for discussing the most common forms of backtrack…
Raman spectroscopy is an important characterization tool with diverse applications in many areas of research. We propose a machine learning method for predicting polarizabilities with the goal of providing Raman spectra from molecular…
Symmetry-adapted distortion modes provide a natural way to describe distorted structures derived from higher-symmetry parent phases. Structural refinements using symmetry-mode amplitudes as fit variables have been used for at least 10 years…
Regularization techniques are widely employed in optimization-based approaches for solving ill-posed inverse problems in data analysis and scientific computing. These methods are based on augmenting the objective with a penalty function,…
Contraction analysis is a stability theory for nonlinear systems where stability is defined incrementally between two arbitrary trajectories. It provides an alternative framework in which to study uncertain interconnections or systems with…
Space group theory is pivotal in the design of nanophotonics devices, enabling the characterization of periodic optical structures such as photonic crystals. The aim of this study is to extend the application of nonsymmorphic space groups…
We present a method for synthesizing recursive functions that provably satisfy a given specification in the form of a polymorphic refinement type. We observe that such specifications are particularly suitable for program synthesis for two…
In electromagnetic simulations of magnets and machines one is often interested in a highly accurate and local evaluation of the magnetic field uniformity. Based on local post-processing of the solution, a defect correction scheme is…
We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down.…
Computer based techniques for recognizing finitely presented groups are quite powerful. Tools available for this purpose are outlined. They are available both in stand-alone programs and in more comprehensive systems. A general…
The renormalization group has proven to be a very powerful tool in physics for treating systems with many length scales. Here we show how it can be adapted to provide a new class of algorithms for discrete optimization. The heart of our…
Diffraction images with continuous rotation symmetry arise from amorphous systems, but also from regular crystals when investigated by powder diffraction. On the theoretical side, pinwheel patterns and their higher dimensional…
Recently, there has been an increased interest in the application of machine learning (ML) techniques to a variety of problems in condensed matter physics. In this regard, of particular significance is the characterization of simple and…
The influence of edge roughness in angle resolved scatterometry at periodically structured surfaces is investigated. A good description of the radiation interaction with structured surfaces is crucial for the understanding of optical…
This paper explores the role of symmetries and reduction in nonlinear control and optimal control systems. The focus of the paper is to give a geometric framework of symmetry reduction of optimal control systems as well as to show how to…
We describe a technique for probing the statistical properties of cosmic magnetic fields based on radio polarimetry data. Second-order magnetic field statistics like the power spectrum cannot always distinguish between magnetic fields with…