Related papers: Variational formulation of particle algorithms for…
We present a computational algorithm for computing short range forces between particles. The algorithm has two distinguishing features. First, it is optimized for multi-processor computers, and will use as many processors as are available.…
Simulating the quantum dynamics of molecules in the condensed phase represents a longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform for the analog-quantum simulation of chemical dynamics that is beyond…
Many claims of computational advantages have been made for quantum computing over classical, but they have not been demonstrated for practical problems. Here, we present algorithms for solving time-dependent PDEs, with particular reference…
Reduced equations that describe low-frequency plasma dynamics play an important role in our understanding of plasma behavior over long time scales. One of the oldest paradigms for reduced plasma dynamics involves the ponderomotive…
The prevalence of variational methods in near-term quantum computing makes optimizer choice critical, yet selection is frequently intuition-based. We therefore present a systematic benchmark of eight classical optimization algorithms for…
In this paper, we introduce and discuss an exactly energy-conserving Particle-in-Cell method for arbitrary curvilinear coordinates. The flexibility provided by curvilinear coordinates enables the study of plasmas in complex-shaped domains…
We describe an implementation of a particle physics module available for the PLUTO code, appropriate for the dynamical evolution of a plasma consisting of a thermal fluid and a non-thermal component represented by relativistic charged…
The prosperous development of both hardware and algorithms for quantum computing (QC) potentially prompts a paradigm shift in scientific computing in various fields. As an increasingly active topic in QC, the variational quantum algorithm…
We present an efficient and accurate energy-conserving implicit particle-in-cell~(PIC) algorithm for the electrostatic Vlasov system, with particular emphasis on its high robustness for simulating complex plasma systems with multiple…
With the great development of parallel computing techniques, the particle-particle (PP) model has been successfully applied in a number of plasma applications. Comparing to particle-mesh (PM) models, for example the widely used…
Constrained problems are frequently encountered in classical and quantum optimization. Particle conservation, in particular, is commonly imposed when studying energy spectra of chemical and solid state systems. Though particle…
A recent reformulation [1] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a…
Since the particles such as molecules, atoms and nuclei are composite particles, it is important to recognize that physics must be invariant for the composite particles and their constituent particles, this requirement is called particle…
In this paper, based on the weak form of the Hamiltonian formulation of the regularized long-wave equation and a novel approach of transforming the original Hamiltonian energy into a quadratic functional, a fully implicit and three…
Quantum circuits with local particle number conservation (LPNC) restrict the quantum computation to a subspace of the Hilbert space of the qubit register. In a noiseless or fault-tolerant quantum computation, such quantities are preserved.…
Simulating the unitary dynamics of a quantum system is a fundamental problem of quantum mechanics, in which quantum computers are believed to have significant advantage over their classical counterparts. One prominent such instance is the…
We present quantum algorithms for solving two problems regarding stochastic processes. The first algorithm prepares the thermal Gibbs state of a quantum system and runs in time almost linear in $\sqrt{N \beta/{\cal Z}}$ and polynomial in…
Numerically robust algorithmic formulations suitable for rate-independent crystal plasticity are presented. They cover classic local models as well as gradient-enhanced theories in which the gradients of the plastic slips are incorporated…
We propose a sparse grids based adaptive noise reduction strategy for electrostatic particle-in-cell (PIC) simulations. Our approach is based on the key idea of relying on sparse grids instead of a regular grid in order to increase the…
We have presented some practical consequences on the molecular-dynamics simulations arising from the numerical algorithm published recently in paper Int. J. Mod. Phys. C 16, 413 (2005). The algorithm is not a finite-difference method and…