相关论文: Local Order Average-Atom Interatomic Potentials

We start with the task of discriminating finitely many multipartite quantum states using LOCC protocols, with the goal to optimize the probability of correctly identifying the state. We provide two different methods to show that finitely…

The embedded atom method (EAM) is one of the most widely used many-body, short-range potentials in molecular dynamics simulations, particularly for metallic systems. To enhance the efficiency of calculating these short-range interactions,…

In the field of material design, traditional crystal structure prediction approaches require extensive structural sampling through computationally expensive energy minimization methods using either force fields or quantum mechanical…

The parameters of many-body potentials for Co, Nb and Zr metals, based on the embedded-atom method, have been systematically derived. The analytical potential scheme allows us to reproduce correctly the cohesive energies and structural…

Using a recently proposed model for combinatorial landscapes, Local Optima Networks (LON), we conduct a thorough analysis of two types of instances of the Quadratic Assignment Problem (QAP). This network model is a reduction of the…

Data-driven stochastic optimization is ubiquitous in machine learning and operational decision-making problems. Sample average approximation (SAA) and model-based approaches such as estimate-then-optimize (ETO) or integrated…

The exceptional combination of strength and ductility in multi-component alloys is often attributed to the interaction of dislocations with the various solute atoms in the alloy. To study these effects on the mechanical properties of such…

The quantum approximate optimization algorithm~(QAOA) first proposed by Farhi et al. promises near-term applications based on its simplicity, universality, and provable optimality. A depth-p QAOA consists of p interleaved unitary…

We propose a new method to reduce the frequency noise of a Local Oscillator (LO) to the level of white phase noise by maintaining (not destroying by projective measurement) the coherence of the ensemble pseudo-spin of atoms over many…

The Quantum Approximate Optimization Algorithm (QAOA) is a leading approach for combinatorial optimization on near-term quantum devices, yet its scalability is limited by the difficulty of optimizing \(2p\) variational parameters for a…

The Quantum Approximate Optimization Algorithm (QAOA) has been one of the leading candidates for near-term quantum advantage in gate-model quantum computers. From its inception, this algorithm has sparked the desire for comparison between…

We investigate the effect of short-range order (SRO) on the electronic structure in alloys from the theoretical point of view using density of states (DOS) data. In particular, the interaction between the atoms at different lattice sites is…

Low-rank adaptations (LoRAs) have revolutionized the finetuning of large foundation models, enabling efficient adaptation even with limited computational resources. The resulting proliferation of LoRAs presents exciting opportunities for…

For atomic frequency standards in which fluctuations of the local oscillator (LO) frequency are the dominant noise source, we examine the role of the servo algorithm that predicts and corrects these frequency fluctuations. We derive the…

Dissipativity is an input-output (IO) characterization of nonlinear systems that enables compositional robust control through Vidyasagar's Network Dissipativity Theorem (VDNT). However, determining the dissipativity of a system is an…

The Quantum Approximate Optimization Algorithm, QAOA, uses a shallow depth quantum circuit to produce a parameter dependent state. For a given combinatorial optimization problem instance, the quantum expectation of the associated cost…

The simulation of intrinsic contributions to molecular properties holds the potential to allow for chemistry to be directly inferred from changes to electronic structures at the atomic level. In the present study, we demonstrate how such…

Attosecond interferometry (AI) is an experimental technique based on ionizing a system with an attosecond pulse train in the presence of an assisting laser. This assisting laser provides multiple pathways for the photoelectron wave packet…

A simple analytic model of point-ion electrostatics has been previously proposed in which the magnitude of the net charge q_i on each atom in an ordered or random alloy depends linearly on the number N_i^(1) of unlike neighbors in its first…

Neutron irradiation tends to promote disorder in ordered alloys through the action of the thermal spikes that it generates, while simultaneously introducing point defects and defect clusters. As they migrate, these point defects will…