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The Active Matter Evaluation Package (AMEP) is a Python library for analyzing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets and for calculating and…

The study of moving particles (e.g. molecules, virus, vesicles, organelles, or whole cells) is crucial to decipher a plethora of cellular mechanisms within physiological and pathological conditions. Powerful live-imaging approaches enable…

Numerical Analysis · Mathematics 2023-11-13 Eloina Corradi , Maurizio Tavelli , Marie-Laure Baudet , Walter Boscheri

Recent developments in path integral methodology have significantly reduced the computational expense of including quantum mechanical effects in the nuclear motion in ab initio molecular dynamics simulations. However, the implementation of…

Computational Physics · Physics 2014-02-06 Michele Ceriotti , Joshua More , David E. Manolopoulos

Atomic probe tomography (APT), based on the work of Erwin Mueller, is able to generate three-dimensional chemical maps in atomic resolution. The required instruments for APT have evolved over the last 20 years from an experimental to an…

Attosecond science offers unprecedented precision in probing the initial moments of chemical reactions, revealing the dynamics of molecular electrons that shape reaction pathways. A fundamental question emerges: what role, if any, do…

Chemical Physics · Physics 2024-07-24 Varun Makhija , Rishabh Gupta , Simon Neville , Micheal Schuurman , Joseph Francisco , Sabre Kais

Fourier ptychographic microscopy (FPM) is a recently developed imaging modality that uses angularly varying illumination to extend a system performance beyond the limit defined by its optical elements. The FPM technique applies a novel…

Optics · Physics 2014-05-02 Xiaoze Ou , Roarke Horstmeyer , Changhuei Yang , Guoan Zheng

We present the automation of a confocal photoluminescence (PL) scanning system for the identification and characterization of single-photon emitters (SPEs) in quantum materials. The setup excites the sample with a laser and acquires a…

Optics · Physics 2026-02-05 Srivatsa Murali , Anshuman Kumar

Photoelectron momentum microscopy is an emerging powerful method for angle-resolved photoelectron spectroscopy (ARPES), especially in combination with imaging spin filters. These instruments record kx-ky images, typically exceeding a full…

Applied Physics · Physics 2021-02-03 G. Schoenhense , S. Babenkov , D. Vasilyev , H. -J. Elmers , K. Medjanik

Photoacoustic Tomography (PAT) is an emerging biomedical "imaging from coupled physics" technique, in which the image contrast is due to optical absorption, but the information is carried to the surface of the tissue as ultrasound pulses.…

Numerical Analysis · Mathematics 2016-11-03 Simon R. Arridge , Marta M. Betcke , Ben T. Cox , Felix Lucka , Brad E. Treeby

We have developed the numerical software package $chinook$, designed for the simulation of photoemission matrix elements. This quantity encodes a depth of information regarding the orbital structure of the underlying wavefunctions from…

Strongly Correlated Electrons · Physics 2020-04-01 Ryan P. Day , Berend Zwartsenberg , Ilya S. Elfimov , Andrea Damascelli

Spectroscopic photoemission microscopy is a well-established method to investigate the electronic structure of surfaces. In modern photoemission microscopes the electron optics allows imaging of the image plane, momentum plane, or…

Proton computed tomography (pCT) is a novel medical imaging modality for mapping the distribution of proton relative stopping power (RSP) in medical objects of interest. Compared to conventional X-ray computed tomography, where range…

The Transfer Matrix Method (TMM) has become a prominent tool for the optical simulation of thin$-$film solar cells, particularly among researchers specializing in organic semiconductors and perovskite materials. As the commercial viability…

The $k\cdot p$ method is significant in condensed matter physics for the compact and analytical Hamiltonian. In the presence of magnetic field, it is described by the effective Zeeman's coupling Hamiltonian with Land\'e $ g $-factors. Here,…

ATK-ForceField is a software package for atomistic simulations using classical interatomic potentials. It is implemented as a part of the Atomistix ToolKit (ATK), which is a Python programming environment that makes it easy to create and…

A fundamental task in photonics is to characterise an unknown optical process, defined by properties such as birefringence, spectral response, thickness and flatness. Amongst many ways to achieve this, single-photon probes can be used in a…

The manipulation of the quantum states of light in linear optical systems has multiple applications in quantum optics and quantum computation. The package QOptCraft gives a collection of methods to solve some of the most usual problems when…

We propose an estimation method for quantum measurement tomography (QMT) based on semidefinite programming (SDP), and discuss how it may be employed to detect experimental imperfections, such as shot noise and/or faulty preparation of the…

An accurate and up-to-date model of a photovoltaic (PV) power plant is essential for its optimal operation and maintenance. However, such a model may not be easily available. This work introduces a novel approach for PV power plant mapping…

Computer Vision and Pattern Recognition · Computer Science 2025-12-23 Viktor Kozák , Jan Chudoba , Libor Přeučil

Tracing the modifications of molecules in surface chemical reactions benefits from the possibility to image their orbitals. While delocalized frontier orbitals with {\pi}-character are imaged routinely with photoemission orbital tomography,…