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"Phase retrieval" refers to the recovery of signals from the magnitudes (and not the phases) of linear measurements. While there has been a recent explosion in development of phase retrieval methods, the lack of a common interface has made…
An open-source, Python-based Temporal Analysis of Products (TAP) reactor simulation and processing program is introduced. TAPsolver utilizes algorithmic differentiation for the calculation of highly accurate derivatives, which are used to…
Resampling techniques are widely used in statistical inference and ensemble learning, in which estimators' statistical properties are essential. However, existing methods are computationally demanding, because repetitions of…
A new scheme for the computation of dispersive interactions from first principles is presented. This cost-effective approach relies on a Wannier function representation compatible with density function theory descriptions. This is an…
Atomic-resolution imaging with scanning transmission electron microscopy is a powerful tool for characterizing the nanoscale structure of materials, in particular features such as defects, local strains, and symmetry-breaking distortions.…
The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…
The electronic structure of solids can routinely be calculated by standard methods like density functional theory. However, in complicated situations like interfaces, grain boundaries or contact geometries one needs to resort to more…
A new algorithm is proposed to accelerate RANSAC model quality calculations. The method is based on partitioning the joint correspondence space, e.g., 2D-2D point correspondences, into a pair of regular grids. The grid cells are mapped by…
To combat the detrimental effects of the variability in wireless channels, we consider cross-layer rate adaptation based on limited feedback. In particular, based on limited feedback in the form of link-layer acknowledgements (ACK) and…
Resonator networks are ubiquitous in natural and engineered systems, such as solid-state materials, neural tissue, and electrical circuits. To understand and manipulate these networks, it is essential to characterize their building blocks,…
Reservoir computing is a bio-inspired computing paradigm for processing time dependent signals. The performance of its analogue implementations matches other digital algorithms on a series of benchmark tasks. Their potential can be further…
We describe Superstaq, a quantum software platform that optimizes the execution of quantum programs by tailoring to underlying hardware primitives. For benchmarks such as the Bernstein-Vazirani algorithm and the Qubit Coupled Cluster…
Given an algorithm the quality of the output largely depends on a proper specification of the input parameters. A lot of work has been done to analyze tasks related to using a fixed model [25] and finding a good set of inputs. In this paper…
CP2K is a versatile open-source software package for simulations across a wide range of atomistic systems, from isolated molecules in the gas phase to low-dimensional functional materials and interfaces, as well as highly symmetric…
We present the Refinement Calculus of Reactive Systems Toolset, an environment for compositional modeling and reasoning about reactive systems, built on top of Isabelle, Simulink, and Python.
Linear transformations are cornerstone operations utilized in modern computing, but are computationally expensive on current electronic platforms. Optical computing has been positioned as a new computing solution, promising high speed and…
The ability to perform mathematical computations using metastructures is an emergent paradigm that carries the potential of wave-based analog computing to the realm of near-speed-of-light, low-loss, compact devices. We theoretically…
Raman spectroscopy is a widely-used non-destructive material characterization method, which provides information about the vibrational modes of the material and therefore of its atomic structure and chemical composition. Interpretation of…
This paper presents a MATLAB toolbox for implementing robust-to-early termination model predictive control, abbreviated as REAP, which is designed to ensure a sub-optimal yet feasible solution when MPC computations are prematurely…
In order to perform automated calculations of defect and dopant properties in semiconductors and insulators, we developed a software package, Defect and Dopant ab-initio Simulation Package (DASP), which is composed of four modules for…