Hasil untuk "physics.comp-ph"

T. Remer, F. Manz

Yi-Qiang Wu, Xuan Liu, Hanlin Li et al.

Physics-informed neural networks (PINN) have been widely used in computational physics to solve partial differential equations (PDEs). In this study, we propose an energy-embedding-based physics-informed neural network method for solving the one-dimensional time-independent Schrödinger equation to obtain ground- and excited-state wave functions, as well as energy eigenvalues by incorporating an embedding layer to generate process-driven data. The method demonstrates high accuracy for several well-known potentials, such as the infinite potential well, harmonic oscillator potential, Woods-Saxon potential, and double-well potential. Further validation shows that the method also performs well in solving the radial Coulomb potential equation, showcasing its adaptability and extensibility. The proposed approach can be extended to solve other partial differential equations beyond the Schrödinger equation and holds promise for applications in high-dimensional quantum systems.

T. A. C. G. Aad, E. Abat, B. Abbott et al.

A detailed study is presented of the expected performance of the ATLAS detector. The reconstruction of tracks, leptons, photons, missing energy and jets is investigated, together with the performance of b-tagging and the trigger. The physics potential for a variety of interesting physics processes, within the Standard Model and beyond, is examined. The study comprises a series of notes based on simulations of the detector and physics processes, with particular emphasis given to the data expected from the first years of operation of the LHC at CERN.

Opal Issan, Oleksandr Koshkarov, Federico D. Halpern et al.

We derive conservative closures of the Vlasov-Poisson equations discretized in velocity via the symmetrically weighted Hermite spectral expansion. The short note analyzes the conservative closures preservation of the hyperbolicity and anti-symmetry of the Vlasov equation. Furthermore, we verify numerically the analytically derived conservative closures on simulating a classic electrostatic benchmark problem: the Langmuir wave. The numerical results and analytic analysis show that the closure by truncation is the most suitable conservative closure for the symmetrically weighted Hermite formulation.

L. Rosso, J. Lobry, S. Bajard et al.

A. Bellacosa, T. Chan, N. N. Ahmed et al.

N. Alizadeh-Pasdar, E. Li-Chan

Rian Koots, Jesús Pérez-Ríos

We present Python Quasi-classical atom-molecule scattering (PyQCAMS), a new Python package for atom-molecule scattering within the quasi-classical trajectory approach. The input consists of mass, collision energy, impact parameter, and pair-wise interactions to choose between Buckingham, generalized Lennard-Jones, and Morse potentials. As the output, the code provides the vibrational quenching, dissociation, and reactive cross sections along with the rovibrational energy distribution of the reaction products. Furthermore, we treat H$_2$ + Ca $\rightarrow$ CaH + H reactions as a prototypical example to illustrate the properties and performance of the software. Finally, we study the parallelization performance of the code by looking into the time per trajectory as a function of the number of CPUs used.

Samuel W. Coles, Benjamin J. Morgan, Benjamin Rotenberg

RevelsMD is a new open source Python library, which uses reduced variance force sampling based estimators to calculate 3D particle densities and radial distribution functions from molecular dynamics simulations. This short note describes the scientific background of the code, its utility and how it fits within the current zeitgeist in computational chemistry and materials science.

D. Emerson, C. Moyer

D. Nordstrom, C. Alpers, C. Ptacek et al.

M. Falasca, S. Logan, V. Lehto et al.

J. Pandolfino, J. Richter, T. Ours et al.

K. Christensen, Jesse T. Myers, J. Swanson

E. Gillies, J. Fréchet

Zhenzhu Chen, Haiyan Jiang, Sihong Shao

An accurate description of 2-D quantum transport in a double-gate metal oxide semiconductor filed effect transistor (dgMOSFET) requires a high-resolution solver to a coupled system of the 4-D Wigner equation and 2-D Poisson equation. In this paper, we propose an operator splitting spectral method to evolve such Wigner-Poisson system in 4-D phase space with high accuracy. After an operator splitting of the Wigner equation, the resulting two sub-equations can be solved analytically with spectral approximation in phase space. Meanwhile, we adopt a Chebyshev spectral method to solve the Poisson equation. Spectral convergence in phase space and a fourth-order accuracy in time are both numerically verified. Finally, we apply the proposed solver into simulating dgMOSFET, develop the steady states from long-time simulations and obtain numerically converged current-voltage (I-V) curves.

Rishikesh M. Sawant, Jim Hurley, Stefano Salmaso et al.

C. Dawes

John T Mongan, D. Case, J. A. McCammon

Paul Paroutis, N. Touret, S. Grinstein