相关论文: Level Set Method for Quantum Control of Dipole Mom…

Machine learning of scalar molecular properties such as potential energy has enabled widespread applications. However, there are relatively few machine learning models targeting directional properties, including permanent and transition…

We propose an analysis of the time-optimal control of a dissipative two-level quantum system whose dynamics is governed by the Lindblad equation. This simple system allows one to use tools of geometric control theory and to construct its…

In this paper, a methodology for modelling two-phase flows based on a conservative level set method in the framework of finite volume method is presented. The novelty of the interface capturing method used here lies on the advection of…

Determining the energy levels of a quantum system is a significant task, for instance, to analyze reaction rates in drug discovery and catalysis or characterize the compatibility of materials. In this paper we exploit quantum metrology, the…

The pseudopotential model within the Lattice Boltzmann Method (LBM) framework has emerged as a prominent approach in computational fluid dynamics due to its dual strengths in physical intuitiveness and computational tractability. However,…

An algorithm is proposed to implement unsteady jump boundary conditions, presenting discontinuity in physical quantities, within the lattice Boltzmann method (LBM). This is useful to tackle problems involving mass or heat transfer through…

The main goal of this paper is to present results of comparison study for the level set and direct Lagrangian methods for computing evolution of the Willmore flow of embedded planar curves. To perform such a study we construct new numerical…

Quantum ensemble systems arise in a variety of applications, including NMR spectroscopy and robust quantum control. While their theoretical properties have been extensively studied, relatively little attention has been given to the explicit…

The material point method (MPM) has been increasingly used for the simulation of large deformation processes in fluid-infiltrated porous materials. For undrained poromechanical problems, however, standard MPMs are numerically unstable…

A semi-implicit two-phase double-point Material Point Method (MPM) formulation, based on the incremental fractional-step method to model large deformation geotechnical problems has been derived. The semi-implicit formulation has two…

In this paper, we consider the analysis and control of continuous-time nonlinear systems to ensure universal shifted stability and performance, i.e., stability and performance w.r.t. each forced equilibrium point of the system. This…

Given a stochastic dynamical system modelled via stochastic differential equations (SDEs), we evaluate the safety of the system through characterizations of its exit time moments. We lift the (possibly nonlinear) dynamics into the space of…

Controlling instability in plasma is one of the central challenges in fusion energy research. Among the various sources of instability, kinetic effects play a significant role. In this work, we aim to suppress the instability induced by…

In the framework of uncertainty quantification, we consider a quantity of interest which depends non-smoothly on the high-dimensional parameter representing the uncertainty. We show that, in this situation, the multilevel Monte Carlo…

We give a pedagogical introduction to Linearized Soliton Perturbation Theory (LSPT), a new and efficient tool for calculations involving quantum solitons. It is a Hamiltonian approach with a focus on explicitly constructing the soliton…

Complete controllability is a fundamental issue in the field of control of quantum systems, not least because of its implications for dynamical realizability of the kinematical bounds on the optimization of observables. In this paper we…

Sufficient conditions for complete controllability of $N$-level quantum systems subject to a single control pulse that addresses multiple allowed transitions concurrently are established. The results are applied in particular to Morse and…

Monte Carlo methods play important part in modern statistical physics. The application of these methods suffer from two main difficulties.The first is caused by the relatively small number of particles that can participate in any numerical…

We consider the control of McKean-Vlasov dynamics (or mean-field control) with probabilistic state constraints. We rely on a level-set approach which provides a representation of the constrained problem in terms of an unconstrained one with…

Together with experimental data, theoretically predicted dipole moments represent a valuable tool for different branches in the chemical and physical sciences. With the diversity of levels of theory and basis sets available, a reliable…