相关论文: Semiclassical approaches to controlling chemical r…

We propose an analytical model based on diffusion-reaction equation approach for electrochemical electron transfer reaction, where the rate is limited by the electron transfer process. The electron transfer from an ion in solution to the…

We explore a new framework for describing the kinetics of a heterogeneous chemical reaction where two particles of the same chemical species form a reaction product of another chemical species on the surface of a seed particle. Traditional…

Precipitation patterns generated by A^{+}+B^{-} --> C type reaction-diffusion processes are studied. It is shown both theoretically and experimentally that the patterns can be controlled by an appropriately designed, time-dependent electric…

Ultrafast laser material processing has received significant attention due to a growing need for the fabrication of miniaturized devices at micro- and nanoscales. The traditional phenomenological laws, such as Fourier's law of heat…

We generalize the quasi-diabatic (QD) propagation scheme to simulate the non-adiabatic polariton dynamics in molecule-cavity hybrid systems. The adiabatic-Fock states, which are the tensor product states of the adiabatic electronic states…

We review various semiclassical models for strong-field physics. These semiclassical models employ ensembles of classical trajectories to simulate electron motion in the continuum after being released from an atom or molecule by an external…

We take the golden-rule instanton method derived in the previous paper [arXiv:1509.04919] and reformulate it using a ring-polymer approach. This gives equations which can be used to compute the rates of electron-transfer reactions in the…

We generalise the celebrated semiclassical wavepacket approach from the adiabatic to the non-adiabatic regime. A unified description covering both of these regimes is particularly desired for systems with spatially varying band structures…

Shocks in astrophysical fluids can generate suprathermal particles by first order (or diffusive) Fermi acceleration. In the test particle regime there is a simple relation between the spectrum of the accelerated particles and the jump…

We investigate the nonequilibrium dynamics of a laser-pumped two-dimensional spinless Holstein model within a semiclassical framework, focusing on the melting and recovery of long-range charge-density-wave order. Accurately describing this…

We study time-optimal state-to-state control for two- and multi-qubit operations motivated by neutral-atom quantum processors within the Rydberg blockade regime. Block-diagonalization of the Hamiltonian simplifies the dynamics and enables…

In this paper we introduce SemiGPC, a distribution-aware label refinement strategy based on Gaussian Processes where the predictions of the model are derived from the labels posterior distribution. Differently from other buffer-based…

In this paper, we study unique, globally defined uniformly bounded weak solutions for a class of semilinear reaction-diffusion-advection systems. The coefficients of the differential operators and the initial data are only required to be…

Adaptive methods of laser irradiation of plasmas are proposed consisting of deterministic, `on-off' amplitude modulations in time, and intermittently changing speckle-patterns. These laser pulses consist of a series of picosecond time-scale…

A novel mixed quantum-classical approach to simulating nonadiabatic dynamics of molecules at metal surfaces is presented. The method combines the numerically exact hierarchical equations of motion approach for the quantum electronic degrees…

Based on quantum reactive-scattering theory, we propose a method for studying the electronic nonadiabaticity in collision processes involving electron-ion rearrangements. We investigate the state-to-state transition probability for…

The goal in semi-supervised learning is to effectively combine labeled and unlabeled data. One way to do this is by encouraging smoothness across edges in a graph whose nodes correspond to input examples. In many graph-based methods, labels…

Several stochastic simulation algorithms (SSAs) have been recently proposed for modelling reaction-diffusion processes in cellular and molecular biology. In this paper, two commonly used SSAs are studied. The first SSA is an on-lattice…

We study the effect of spontaneous emission and incoherent atomic pumping on the nonlinear semiclassical dynamics of the unbalanced Dicke model -- a generalization of the Dicke model that features independent coupling strengths for the co-…

The semiclassical approximation of coherent state path integrals is employed to study the dynamics of the Jaynes-Cummings model. Decomposing the Hilbert space into subspaces of given excitation quanta above the ground state, the…