Related papers: FSSH-2: Fewest Switches Surface Hopping with robus…
In this paper, we innovatively develop uniform/variable-time-step weighted and shifted BDF2 (WSBDF2) methods for the anisotropic Cahn-Hilliard (CH) model, combining the scalar auxiliary variable (SAV) approach with two types of stabilized…
We explore the distribution of paths followed in fluctuation-induced switching between coexisting stable states. We introduce a quantitative characteristic of the path distribution in phase space that does not require a priori knowledge of…
We present a new method, Non-Stationary Forward Flux Sampling, that allows efficient simulation of rare events in both stationary and non-stationary stochastic systems. The method uses stochastic branching and pruning to achieve uniform…
The significance of topological phases has been widely recognized in the community of condensed matter physics. The well controllable quantum systems provide an artificial platform to probe and engineer various topological phases. The…
We propose an excited-state molecular dynamics simulation method based on variational quantum algorithms at a computational cost comparable to that of ground-state simulations. We utilize the feature that excited states can be obtained as…
Frequency hopping sequences (FHSs) with favorable partial Hamming correlation properties have important applications in many synchronization and multiple-access systems. In this paper, we investigate constructions of FHSs and FHS sets with…
The quantum-classical Liouville equation offers a rigorous approach to nonadiabatic quantum dynamics based on surface hopping type trajectories. However, in practice the applicability of this approach has been limited to short times owing…
In this article, we propose an index modulation system suitable for optical communications, based on jointly driving the time and frequency of the signal: an index-time frequency hopping (I-TFH) system. We analyze its performance from the…
The quantum phases of 2-leg spin-1/2 ladders with skewed rungs are obtained using exact diagonalization of systems with up to 26 spins and by density matrix renormalization group calculations to 500 spins. The ladders have isotropic…
Forward flux sampling (FFS) provides a convenient and efficient way to simulate rare events in equilibrium or non-equilibrium systems. FFS ratchets the system from an initial state to a final state via a series of interfaces in phase space.…
Non-adiabatic dynamics simulations have become a standard approach to explore photochemical reactions. Such simulations require underlying potential energy surfaces and couplings between them, calculated at a chosen level of theory, yet…
We introduce an improved semiclassical dynamics approach to quantum vibrational spectroscopy. In this method, a harmonic-based phase space sampling is preliminarily driven toward non-harmonic quantization by slowly switching on the actual…
We propose new numerical schemes for decoupled forward-backward stochastic differential equations (FBSDEs) with jumps, where the stochastic dynamics are driven by a $d$-dimensional Brownian motion and an independent compensated Poisson…
We present the Basin Hopping with Skipping (BH-S) algorithm for stochastic optimisation, which replaces the perturbation step of basin hopping (BH) with a so-called skipping proposal from the rare-event sampling literature. Empirical…
Adiabatic Quantum Computing relies on the quantum adiabatic theorem, which states that a quantum system evolves along its ground state with time if the governing Hamiltonian varies infinitely slowly. However, practical limitations force…
We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio non-adiabatic dynamics methods. Our approach is based upon…
Frequency hopping (FH) is an effective anti-jamming technology in cognitive radio networks (CRNs). However, it is difficult to significantly increase the anti-jamming results because of the growing crowded spectrum in wireless…
In this note we study the asymptotic mean-square stability for two-step schemes applied to a scalar stochastic differential equation (sde) and applied to systems of sdes. We derive necessary and sufficient conditions for the asymptotic…
This paper introduces the Fej\'er-monotone hybrid steepest descent method (FM-HSDM), a new member to the HSDM family of algorithms, for solving affinely constrained minimization tasks in real Hilbert spaces, where convex smooth and…
The quantum phases in a spin-1 skewed ladder system formed by alternately fusing five- and seven-membered rings are studied numerically using the exact diagonalization technique up to 16 spins and using the density matrix renormalization…