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Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
In this activity, students will make a working model of an atomic force microscope (AFM). A permanent magnet attached to a compact disc (CD) strip acts as the sensor. The sensor is attached to a base made from Legos. Laser light is…
An early-stage version of simulation package is developed for electronic structure calculation and dynamics of atom process in large-scale systems, particularly, nm-scale or 10nm-scale systems. We adopted the Extensible Markup Language…
In this paper, we report a numerical method for analyzing optical radiation from a two-level atom. The proposed method can consistently consider the optical emission and absorption process of an atom, and also the interaction between atoms…
Simulations and inversions of electromagnetic geophysical data are paramount for discerning meaningful information about the subsurface from these data. Depending on the nature of the source electromagnetic experiments may be classified as…
In order to optimise the design of space instruments making use of detection materials with low atomic numbers, an understanding of the atmospheric neutron environment and its dependencies on time and position is needed. To produce a simple…
Electron microscopy is a powerful tool for studying the properties of materials down to their atomic structure. In many cases, the quantitative interpretation of images requires simulations based on atomistic structure models. These…
Liquid argon time projection chambers (LArTPCs) are widely used in particle detection for their tracking and calorimetric capabilities. The particle physics community actively builds and improves high-quality simulators for such detectors…
One of the important problems of cyber pedagogy is the following: how, knowing the parameters of the student, his initial level of knowledge and the impact of the teacher to predict knowledge of student at subsequent times. Simulation…
Detectors for gamma-ray astronomy are complex: they often comprise multiple sub-systems and utilize new and/or custom-developed detector components and readout electronics. Gamma rays are typically not detected directly: ground-based…
The nuclear shell model is one of the prime many-body methods to study the structure of atomic nuclei, but it is hampered by an exponential scaling on the basis size as the number of particles increases. We present a shell-model quantum…
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…
This paper is centered on using chemical reaction as a computational metaphor for simultaneously solving problems. An artificial chemical reactor that can simultaneously solve instances of three unrelated problems was created. The reactor…
Many parallel and distributed computing research results are obtained in simulation, using simulators that mimic real-world executions on some target system. Each such simulator is configured by picking values for parameters that define the…
Quantum optics plays a crucial role in developing quantum computers on different platforms. In photonics, precise control over light's degrees of freedom, including discrete variables (polarization, photon number, orbital angular momentum)…
Spontaneous emission of the quantum system driven by a high intensity classical laser field is analyzed. The study is based on the accurate consideration of quantum system interaction with vacuum quantized field modes in the first order of…
The efficient probing of spectral features is important for characterising and understanding the structure and dynamics of quantum materials. In this work, we establish a framework for probing the excitation spectrum of quantum many-body…
Although environmental radioactivity is all around us, the collective public imagination often associates a negative feeling to this natural phenomenon. To increase the familiarity with this phenomenon we have designed, implemented, and…
Chemical modelling serves two purposes in dynamical models: accounting for the effect of microphysics on the dynamics and providing observable signatures. Ideally, the former must be done as part of the hydrodynamic simulation but this…
We explore the sensitivity of several core-level spectroscopic methods to the underlying atomistic structure by using the water molecule as our test system. We first define a metric that measures the magnitude of spectral change as a…