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The Speckle Imager via MUlti Layer Atmospheric Turbulence Object Reconstructor (SIMULATOR) is a lab-based testbed instrument developed to test for speckle correlation-based techniques in the optical regime. However, this instrument can be…
This article is intended for physics educators and students at school and undergraduate level. It is used at our department to introduce students to simulation and offer a guide in using statistics in physics. The simulation code was…
In this work, we simulate the behavior of photons in a laboratory experiment using a quantum computer and examine how the simulation results compare with the theoretical predictions. The experiment involves both protective and…
Spectroscopy is one of the most accurate probes of the molecular world. However, predicting molecular spectra accurately is computationally difficult because of the presence of entanglement between electronic and nuclear degrees of freedom.…
Currently available quantum hardware allows for small scale implementations of quantum machine learning algorithms. Such experiments aid the search for applications of quantum computers by benchmarking the near-term feasibility of candidate…
Numerical calculus algorithms which estimate derivatives and integrals from data series acquired either via measurements or by sampling functions are essential in scientific computing. To date, a few quantum algorithms have been developed…
We propose and discuss a numerical method to model electromagnetic emission from the oscillating relativistic charged particles and its coherent amplification. The developed technique is well suited for free electron laser simulations, but…
In our days, the necessity of laboratory apparatus accustoming by building up specific software objects for studying the virtual evolution of physical phenomena is a major request. In this respect, the aim of the present paper is to present…
In this paper we show how to measure in the setting of digital quantum simulations the reflection and transmission amplitudes of the one-dimensional scattering of a particle with a short-ranged potential. The main feature of the protocol is…
The Simulation Environment for Atomistic and Molecular Modeling (SEAMM) is an open-source software package written in Python that provides a graphical interface for setting up, executing, and analyzing molecular and materials simulations.…
Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…
We describe an interactive computer program that simulates Stern-Gerlach measurements on spin-1/2 and spin-1 particles. The user can design and run experiments involving successive spin measurements, illustrating incompatible observables,…
The problem of spontaneous emission is studied by a direct computer simulation of the dynamics of a combined system: atom + radiation field. The parameters of the discrete finite model, including up to 20k field oscillators, have been…
Laser enhanced field evaporation of surface atoms in Laser-assisted Atom Probe Tomography (La-APT) can simultaneously excite phtotoluminescence in semiconductor or insulating specimens. An atom probe equipped with appropriate focalization…
Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…
Many large scale numerical simulations of astrophysical plasmas must also reproduce the hydrogen ionization and the resulting emission spectrum, in some cases quite accurately. We describe a compact model hydrogen atom that can be readily…
The application of molecular dynamics (MD) simulations to the interpretation of Raman scattering spectra is hindered by inability of atomistic simulations to account for the dynamic evolution of electronic polarizability, requiring the use…
The chemical dynamics scene is the most important application of computer simulation. We show that electrons jump between potential holes of different depths (new molecular orbits, hybrid atomic orbits with different energies) under the…
Atomistic simulations are essential tools in chemistry and materials science, accelerating the discovery of novel catalysts, energy storage materials, and pharmaceuticals. However, running these simulations remains challenging due to the…
Spectral functions measured with angle-resolved photoemission spectroscopy (ARPES) provide key insight to elucidate the band structure of materials. Comparison with theory requires computing dynamical one-point functions in some equilibrium…