Related papers: A multi-state mapping approach to surface hopping
Stochastic and soft optimal policies resulting from entropy-regularized Markov decision processes (ER-MDP) are desirable for exploration and imitation learning applications. Motivated by the fact that such policies are sensitive with…
In the context of Monte Carlo sampling for lattice models, the complexity of the energy landscape often leads to Markov chains being trapped in local optima, thereby increasing the correlation between samples and reducing sampling…
In this paper, we build on recent work using a mathematical programming approach for incremental state update in analysis of non-linear mechanics models. In particular, we consider quasi-static analysis of continuum problems in the…
This paper presents the jump law of co-states in optimal control for state-dependent switched systems. The number of switches and the switching modes are assumed to be known a priori. A proposed jump law is rigorously derived by theoretical…
We investigate the transition of a quasi-one-dimensional few-boson system from a weakly correlated to a fragmented and finally a fermionized ground state. Our numerically exact analysis, based on a multi-configurational method, explores the…
We calculate the electronic relaxation of a single electron in a quantum dot with two electronic orbital states, and with the electronic coupling to the longitudinal optical modes of the lattice vibrations included in the multiple…
To analyze quantum many-body Hamiltonians, recently, machine learning techniques have been shown to be quite useful and powerful. However, the applicability of such machine learning solvers is still limited. Here, we propose schemes that…
Despite significant work on resource estimation for quantum simulation of electronic systems, the challenge of preparing states with sufficient ground state support has so far been largely neglected. In this work we investigate this issue…
Multiple stable states - the coexistence of two or more distinct ecological configurations under identical environmental conditions - have attracted sustained interest in ecology, yet the field still lacks a unified framework connecting…
Quantum computation offers significant potential for accelerating the simulation of molecules and materials through algorithms such as quantum phase estimation (QPE). However, the expected speedup in ground-state energy estimation depends…
This paper introduces two mechanisms for computing over-approximations of sets of reachable states, with the aim of ensuring termination of state-space exploration. The first mechanism consists in over-approximating the automata…
The quantum phase estimation algorithm stands as the primary method for determining the ground state energy of a molecular electronic Hamiltonian on a quantum computer. In this context, the ability to initialize a classically tractable…
Multiple systems estimation strategies have recently been applied to quantify hard-to-reach populations, particularly when estimating the number of victims of human trafficking and modern slavery. In such contexts, it is not uncommon to see…
In this work, two problems associated with a downlink multi-user system are considered with the aid of intelligent reflecting surface (IRS): weighted sum-rate maximization and weighted minimal-rate maximization. For the first problem, a…
In this paper, a multi-user multi-hop hybrid FSO / RF system is presented. This structure is consisted of two main parts. The main motivation of presenting this structure is communication in long-range impassable links or some specific…
We present and test a protocol to learn the matrix-product operator (MPO) representation of an experimentally prepared quantum state. The protocol takes as an input classical shadows corresponding to local randomized measurements, and…
Monte Carlo simulations are a powerful tool to investigate the thermodynamic properties of atomic systems. In practice however, sampling of the complete configuration space is often hindered by high energy barriers between different regions…
We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a…
A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nano devices, molecular junctions or heterostructures out of equilibrium is provided by steady-state cluster perturbation…
We use the effective Hamiltonian that we recently fitted against the first 306 experimentally observed vibronic transitions of NO2 [J. Chem. Phys. 119, 5923 (2003)] to investigate the time domain nonadiabatic dynamics of this molecule on…