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When time-propagating a wave packet representing a molecular system interacting with strong attosecond laser pulses, one needs to use an approach that is capable of describing intricate coupled electronic-nuclear events that require…

Chemical Physics · Physics 2025-03-14 Aleksander P. Woźniak , Ludwik Adamowicz , Thomas Bondo Pedersen , Simen Kvaal

Digital quantum computers promise exponential speedups in performing quantum time-evolution, providing an opportunity to simulate quantum dynamics of complex systems in physics and chemistry. However, the task of extracting desired quantum…

Quantum Physics · Physics 2025-03-10 Chong Hian Chee , Daniel Leykam , Adrian M. Mak , Kishor Bharti , Dimitris G. Angelakis

Stochastic, spatial reaction-diffusion simulations have been widely used in systems biology and computational neuroscience. However, the increasing scale and complexity of simulated models and morphologies have exceeded the capacity of any…

Quantitative Methods · Quantitative Biology 2016-10-10 Weiliang Chen , Erik De Schutter

Although driven Brownian particles are ubiquitous in stochastic dynamics and often serve as paradigmatic model systems for many aspects of stochastic thermodynamics, fully analytically solvable models are few and far between. In this paper,…

Statistical Mechanics · Physics 2021-02-01 Matthias Uhl , Volker Weissmann , Udo Seifert

Gaussian wave packets (GWPs) are well suited as basis functions to describe the time evolution of arbitrary wave functions in systems with nonsingular smooth potentials. They are less so in atomic systems on account of the singular behavior…

Atomic Physics · Physics 2015-05-13 Tomaž Fabčič , Jörg Main , Günter Wunner

Global particle simulations of the lower hybrid waves have been carried out using fully kinetic ions and drift kinetic electrons with a realistic electron-to-ion mass ratio. The lower hybrid wave frequency, mode structure, and electron…

Plasma Physics · Physics 2015-06-23 J. Bao , Z. Lin , A. Kuley , Z. X. Wang , Z. X. Lu

We present a new methodology, based on the WKB approximation and Fast Fourier Transforms, for the evaluation of wave propagation through inhomogeneous media. This method can accurately resolve fields containing caustics, while still…

Computational Physics · Physics 2024-03-05 Oscar P. Bruno , Martin D. Maas

The dramatic growth of research areas within the province of quantum state transmission (QST) is rapidly accelerating. An important insight to understand the process of QST can be fulfilled by considering the dynamical behavior of its…

Quantum Physics · Physics 2021-02-24 Mostafa Motamedifar

The aim of this work is to perform numerical simulations of the propagation of a laser in a plasma. At each time step, one has to solve a Helmholtz equation in a domain which consists in some hundreds of millions of cells. To solve this…

Numerical Analysis · Mathematics 2009-11-13 Sylvain Desroziers , Frédéric Nataf , Remi Sentis

Quantum dynamics can be simulated on a quantum computer by exponentiating elementary terms from the Hamiltonian in a sequential manner. However, such an implementation of Trotter steps has gate complexity depending on the total Hamiltonian…

Quantum Physics · Physics 2023-05-15 Guang Hao Low , Yuan Su , Yu Tong , Minh C. Tran

We derive limits for wave optics simulations of plane wave propagation in non-Kolmogorov turbulence using the split-step method and thin phase screens. These limits are used to inform two simulation campaigns where the relationship between…

Optics · Physics 2023-01-18 Jeremy P. Bos , Stephen Grulke , Jeff Beck

The propagation of an electrostatic wave in a three-component e-p-I astrophysical quantum plasma in a rotating frame has been studied, taking into account the particle spin, Fermi pressure, and quantum Bohm potential. Spin polarization…

Plasma Physics · Physics 2025-04-09 Atherv Saxena , Punit Kumar

Parallel multiphysics simulations often suffer from load imbalances originating from the applied coupling of algorithms with spatially and temporally varying workloads. It is thus desirable to minimize these imbalances to reduce the time to…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-12-03 Christoph Rettinger , Ulrich Rüde

Quantum computation is a promising emerging technology which, compared to conventional computation, allows for substantial speed-ups e.g. for integer factorization or database search. However, since physical realizations of quantum…

Quantum Physics · Physics 2018-06-07 Alwin Zulehner , Robert Wille

The application of molecular dynamics (MD) simulations to quasistatic loading is severely limited by the large separation between atomic vibration timescales and experimentally relevant deformation rates. In this work we employ the…

Materials Science · Physics 2026-05-27 Sarthok Kumar Baruah , Sabyasachi Chatterjee , Amit Acharya , Gerald J. Wang

Measurement of quantum state wavefunction not only acts as a fundamental part in quantum physics but also plays an important role in developing practical quantum technologies. Conventional quantum state tomography has been widely used to…

This companion paper to [D. Picconi et al., J. Chem. Phys. 150 (2019)] presents quantum dynamical simulations, using the Gaussian-based multiconfigurational time-dependent Hartree (G-MCTDH) method, of time-resolved coherent Raman…

Chemical Physics · Physics 2019-03-27 David Picconi , Jeffrey A. Cina , Irene Burghardt

We digitally simulate quantum many-body dynamics in emergent curved backgrounds using 80 superconducting qubits on IBM Heron processors. By engineering spatially varying couplings in the spin-$\frac12$ XXZ chain, consistent with the…

The variational quantum imaginary time evolution algorithm is efficient in finding the ground state of a quantum Hamiltonian. This algorithm involves solving a system of linear equations in a classical computer and the solution is then used…

Quantum Physics · Physics 2024-05-10 Gaurav Saxena , Ahmed Shalabi , Thi Ha Kyaw

State estimation for hybrid systems that undergo intermittent contact with their environments, such as extraplanetary robots and satellites undergoing docking operations, is difficult due to the discrete uncertainty propagation during…

Robotics · Computer Science 2026-03-23 Karthik Shaji , Sreeranj Jayadevan , Bo Yuan , Hongzhe Yu , Yongxin Chen