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Molecular dynamics simulations have become essential in many areas of atomistic modelling from drug discovery to materials science. They provide critical atomic-level insights into key dynamical events experiments cannot easily capture.…
The various algorithms used to extrapolate particle trajectories from measurements are often very time-consuming with computational complexities which are typically quadratic. In this article, we propose a new algorithm called GEM with a…
Quantum state tomography, which aims to find the best description of a quantum state -- the density matrix, is an essential building block in quantum computation and communication. Standard techniques for state tomography are incapable of…
Starting from the geometric description of quantum systems, we propose a novel approach to time-independet dissipative quantum processes according to which the energy is dissipated but the coherence of the states is preserved. Our proposal…
Geant4 is an object-oriented toolkit for the simulation of the passage of particles through matter. Its development was initially motivated by the requirements of physics experiments at high energy hadron colliders under construction in the…
In Computer Vision domain, moving Object Tracking considered as one of the toughest problem.As there so many factors associated like illumination of light, noise, occlusion, sudden start and stop of moving object, shading which makes…
Two-dimensional electronic spectroscopy (2DES) is a powerful tool for exploring quantum effects in energy transport within photosynthetic systems and investigating novel material properties. However, simulating the dynamics of these…
A research and development (R&D) project related to the extension of the Geant4 toolkit has been recently launched to address fundamental methods in radiation transport simulation. The project focuses on simulation at different scales in…
The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…
The distance-minimizing data-driven computational mechanics has great potential in engineering applications by eliminating material modeling error and uncertainty. In this computational framework, the solution-seeking procedure relies on…
Particle tracking simulations with space charge effects are very important for high-intensity proton rings. Since they include not only Hamilton mechanics of a single particle but constructing charge densities and solving Poisson equations…
Analyzing the physical and chemical properties of single DNA based molecular machines such as polymerases and helicases often necessitates to track stepping motion on the length scale of base pairs. Although high resolution instruments have…
Quantum computers have the potential to efficiently simulate the dynamics of many interacting quantum particles, a classically intractable task of central importance to fields ranging from chemistry to high-energy physics. However,…
Modern power systems face growing risks from cyber-physical attacks, necessitating enhanced resilience due to their societal function as critical infrastructures. The challenge is that defense of large-scale systems-of-systems requires…
A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…
Celeritas is a GPU-optimized MC particle transport code designed to meet the growing computational demands of next-generation HEP experiments. It provides efficient simulation of EM physics processes in complex geometries with magnetic…
Discrete Element Methods (DEM), i.e.~the simulation of many rigid particles, suffer from very stiff differential equations plus multiscale challenges in space and time. The particles move smoothly through space until they interact almost…
Estimation of physical observables for unknown quantum states is an important problem that underlies a wide range of fields, including quantum information processing, quantum physics, and quantum chemistry. In the context of quantum…
Reference arXiv:1904.03196 recently introduced an algorithm (QPS) for simulating parton showers with intermediate flavor states using polynomial resources on a digital quantum computer. We make use of a new quantum hardware capability…
Coherent electron displacement is a conventional strategy for processing quantum information, as it enables to interconnect distinct sites in a network of atoms. The efficiency of the processing relies on the precise control of the…