相关论文: A variational surface hopping algorithm for the su…

We present an efficient algorithm for motion planning and control of a robot system with a high number of degrees-of-freedom. These include high-DOF soft robots or an articulated robot interacting with a deformable environment. Our approach…

We provide a complete thermodynamic solution of a 1D hopping model in the presence of a random potential by obtaining the density of states. Since the partition function is related to the density of states by a Laplace transform, the…

High-resolution simulations of particle-based kinetic plasma models typically require a high number of particles and thus often become computationally intractable. This is exacerbated in multi-query simulations, where the problem depends on…

Dynamical systems across the sciences, from electrical circuits to ecological networks, undergo qualitative and often catastrophic changes in behavior, called bifurcations, when their underlying parameters cross a threshold. Existing…

Switching dynamical systems provide a powerful, interpretable modeling framework for inference in time-series data in, e.g., the natural sciences or engineering applications. Since many areas, such as biology or discrete-event systems, are…

The diagonal Born-Oppenheimer correction (DBOC) stems from the diagonal second derivative coupling term in the adiabatic representation, and it can have an arbitrary large magnitude when a gap between neighbouring Born-Oppenheimer (BO)…

We examine the applicability of the numerically accurate method of time dependent variation with multiple Davydov Ansatze (mDA) to non-Hermitian systems. Three systems of interest includes: a non-Hermitian system of dissipative Landau-Zener…

Learning a Markov Decision Process (MDP) from a fixed batch of trajectories is a non-trivial task whose outcome's quality depends on both the amount and the diversity of the sampled regions of the state-action space. Yet, many MDPs are…

We demonstrate that a recently introduced heuristic optimization algorithm [Phys. Rev. E 83, 046709 (2011)] that combines a local search with triadic crossover genetic updates is capable of sampling nearly uniformly among ground-state…

In the spirit of the fewest switches surface hopping, the frozen Gaussian approximation with surface hopping (FGA-SH) method samples a path integral representation of the non-adiabatic dynamics in the semiclassical regime. An improved…

We develop a variational method for interacting surface systems with higher-form global symmetries. As a natural extension of the conventional second-quantized Hamiltonian of interacting bosons, we explicitly construct a second-quantized…

We present a new paradigm for the dynamical simulation of interacting many-boson open quantum systems. The method relies on a variational ansatz for the $n$-boson density matrix, in terms of a superposition of photon-added coherent states.…

During the last decades many metaheuristics for global numerical optimization have been proposed. Among them, Basin Hopping is very simple and straightforward to implement, although rarely used outside its original Physical Chemistry…

A variational principle for determining unstable periodic orbits of flows as well as unstable spatio-temporally periodic solutions of extended systems is proposed and implemented. An initial loop approximating a periodic solution is evolved…

Stimulated Raman Adiabatic Passage, a very efficient technique for manipulating a quantum system based on the adiabatic theorem, is analyzed in the case where the manipulated physical system is interacting with a spin bath. Exploitation of…

The prevalence of variational methods in near-term quantum computing makes optimizer choice critical, yet selection is frequently intuition-based. We therefore present a systematic benchmark of eight classical optimization algorithms for…

We develop a variational wave function for the ground state of a one-dimensional bosonic lattice gas. The variational theory is initally developed for the quantum rotor model and later on extended to the Bose-Hubbard model. This theory is…

For future use in modeling photoexcited dynamics and intersystem crossing, we calculate spin-adiabatic states and their analytical nuclear gradients within CIS the- ory. These energies and forces should be immediately useful for surface…

Underwater robots are widely deployed for ocean exploration and manipulation. Underactuated mechanisms are particularly advantageous in aquatic environments, as reducing actuator count lowers the risk of motor leakage while introducing…

It is generally accepted that populations are useful for the global exploration of multi-modal optimisation problems. Indeed, several theoretical results are available showing such advantages over single-trajectory search heuristics. In…