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The main objective of quantum simulation is an in-depth understanding of many-body physics. It is important for fundamental issues (quantum phase transitions, transport, . . . ) and for the development of innovative materials. Analytic…
Radiative transfer calculations are essential for modeling planetary atmospheres. However, standard methods are computationally demanding and impose accuracy-speed trade-offs. High computational costs force numerical simplifications in…
We developed an efficient algorithm integrated in our 3D modeling tool, GX Simulator (Nita et al. 2015), allowing quick computation of the synthetic intensity and polarization maps of solar active regions (AR) in the ALMA spectral range.…
We present Stochastic Optical Quantum Circuit Simulator (SOQCS) C++/Python library for the simulation of quantum optical circuits, and we provide its implementation details. SOQCS offers a framework to define, simulate and study quantum…
The calculation time for the energy of atoms and molecules scales exponentially with system size on a classical computer but polynomially using quantum algorithms. We demonstrate that such algorithms can be applied to problems of chemical…
The atmospheres and surfaces of planets show tremendous amount of spatial variation, which has a direct effect on the spectrum of the object, even if this may not be spatially resolved. Here, we apply hyper realistic radiative simulations…
Computational modeling is an important aspect of the research on nuclear waste materials. In particular, atomistic simulations, when used complementary to experimental efforts, contribute to the scientific basis of safety case for nuclear…
As the variety of commercially available quantum computers continues to increase so does the need for tools that can characterize, verify and validate these computers. This work explores using quantum state tomography for characterizing the…
Compressed sensing is a method that allows a significant reduction in the number of samples required for accurate measurements in many applications in experimental sciences and engineering. In this work, we show that compressed sensing can…
Atomic ensembles, comprising clouds of atoms addressed by laser fields, provide an attractive system for both the storage of quantum information, and the coherent conversion of quantum information between atomic and optical degrees of…
Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…
We present a proof of concept on the coupling of radio astronomical receivers and spectrometers with chemical reactorsand the performances of the resulting setup for spectroscopy and chemical simulations in laboratory astrophysics. Several…
This study describes computer simulations of carbonization and graphite formation, including the effects of hydrogen, nitrogen, oxygen, and sulfur. We introduce a novel technique to simulate carbonization, "Simulation of Thermal Emission of…
Smartphones are widely available and used extensively by students worldwide. These phones often come equipped with high-quality cameras that can be combined with basic optical elements to build a cost-effective DIY spectrometer. Here, we…
Real-time optics and spectroscopy simulations ideally provide results at update rates of 120 Hz or more without any noticeable delay between changing input parameters and the calculated results. Such calculations require models of…
We introduce a particle-based simulation method for granular material in interactive frame rates. We divide the simulation into two decoupled steps. In the first step, a relatively small number of particles is accurately simulated with a…
A propagation method for the scattering of a quantum wave packet from a potential surface is presented. It is used to model the quantum reflection of single atoms from a corrugated (metallic) surface. Our numerical procedure works well in…
Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…
Quantum computers may one day enable the efficient simulation of strongly coupled plasmas that lie beyond the reach of classical computation in regimes where quantum effects are important and the scale separation is large. In this article,…
We introduce a fingerprint representation of molecules based on a Fourier series of atomic radial distribution functions. This fingerprint is unique (except for chirality), continuous, and differentiable with respect to atomic coordinates…