Related papers: UVGI Scientific Calculator
Mathematical models implemented on a computer have become the driving force behind the acceleration of the cycle of scientific processes. This is because computer models are typically much faster and economical to run than physical…
This article addresses the formulation and validation of a simple PC based software application developed for simulating commercially available solar panels. The important feature of this application is its capability to produce speedy…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…
Natural computing offers new opportunities to understand, model and analyze the complexity of the physical and human-created environment. This paper examines the application of natural computing in environmental informatics, by…
The World Space Observatory - Ultraviolet (WSO-UV) space telescope is equipped with high dispersion (55,000) spectrographs working in the 1150-3100 {\AA} spectral range. To evaluate the impact of the design on the scientific objectives of…
This paper reports on the scientific pipeline for the analysis of the ECLAIRs data of the SVOM mission. We describe the overall procedure, the different steps and the main algorithms of the data analysis for this hard X-ray coded mask…
I abstract from a recent publication [1] the motivations for, analysis in and conclusions of a study of the ultraviolet and infrared momentum regulators induced by the necessary truncation of the model spaces formed by a variational trial…
It is demonstrated, how the theoretical analysis preceding the numerical calculations helps to calculate the energy of the ground state of helium atom, and enables to avoid qualitative errors in the calculations of the characteristics of…
Classical methods to simulate quantum systems are not only a key element of the physicist's toolkit for studying many-body models but are also increasingly important for verifying and challenging upcoming quantum computers. Pauli…
Accurate quantum chemical calculations are critical for understanding molecular properties, yet their computational cost remains a major challenge. Full Configuration Interaction (FCI) provides exact solutions but is prohibitively expensive…
Classical simulation of quantum computers is an irreplaceable step in the design of quantum algorithms. Exponential simulation costs demand the use of high-performance computing techniques, and in particular distribution, whereby the…
Quantum computing holds promise across various fields, particularly with the advent of Noisy Intermediate-Scale Quantum (NISQ) devices, which can outperform classical supercomputers in specific tasks. However, challenges such as noise and…
Hybrid-VPIC is an extension of the open-source high-performance particle-in-cell (PIC) code VPIC incorporating hybrid kinetic ion/fluid electron solvers. This paper describes the models that are available in the code and gives an overview…
The use of finite harmonic oscillator spaces in many-body calculations introduces both infrared (IR) and ultraviolet (UV) errors. The IR effects are well approximated by imposing a hard-wall boundary condition at a properly identified…
We show that the time evolution of the wave function of a quantum mechanical many particle system can be implemented very efficiently on a quantum computer. The computational cost of such a simulation is comparable to the cost of a…
Penetration models and calculating algorithms are presented, describing the dynamics and fracture of composite armor shields penetrated by high-speed small arms. A shield considered consists of hard (metal or ceramic) facing and…
We present conditions for the efficient simulation of a broad class of optical quantum circuits on a classical machine: this class includes unitary transformations, amplification, noise, and measurements. Various proposed schemes for…
The path-integral formulation of the statistical mechanics of quantum many-body systems is described, with the purpose of introducing practicaltechniques for the simulation of solids. Monte Carlo and molecular dynamics methods for…
A review of tools and methods to calculate electrostatic potentials and fields inside high-purity germanium detectors in various configurations is given. The methods are illustrated concretely with a new educational program named GeFiCa -…
A novel approach for calibrating quantum-chemical properties determined as part of a high-throughput virtual screen to experimental analogs is presented. Information on the molecular graph is extracted through the use of extended…