相关论文: Heat-bath Configuration Interaction: An efficient …

Numerous numerical studies have shown that geminal-based methods are a promising direction to model strongly correlated systems with low computational costs. Several strategies have been introduced to capture the missing dynamical…

We present a method to calculate many-body states of interacting carriers in million atom quantum nanostructures based on atomistic tight-binding calculations and a combination of iterative selection of configurations and perturbation…

High entropy alloys (HEAs) have been increasingly attractive as promising next-generation materials due to their various excellent properties. It's necessary to essentially characterize the degree of chemical ordering and identify…

We give a thorough analysis of the convergence properties of the configuration-interaction method as applied to parabolic quantum dots among other systems, including \emph{a priori} error estimates. The method converges slowly in general,…

We investigate the thermal responses of a harmonic oscillator chain coupled at its boundaries to heat baths held at different temperatures. This setup sustains a steady energy flux, continuously dissipating heat into both reservoirs. By…

Heat-Bath Algorithmic Cooling is a set of techniques for producing highly pure quantum systems by utilizing a surrounding heat-bath and unitary interactions. These techniques originally used the thermal environment only to fully thermalize…

This paper proposes a concept of wind-to-hydrogen-driven critical infrastructure (W2H-CI) as an engineering solution for decarbonizing the power generation sector where it utilizes wind power to produce hydrogen through electrolysis and…

Approximate natural orbitals are investigated as a way to improve a Monte Carlo configuration interaction (MCCI) calculation. We introduce a way to approximate the natural orbitals in MCCI and test these and approximate natural orbitals…

An externally corrected coupled cluster (CC) method, where an adaptive configuration interaction (ACI) wave function provides the external cluster amplitudes, named ACI-CC, is presented. By exploiting the connection between configuration…

We study the rectification of heat current in an XXZ chain segmented in two parts. We model the effect of the environment with Lindblad heat baths. We show that, in our system, rectification is large for strong interactions in half of the…

Most approaches for assessing causality in complex dynamical systems fail when the interactions between variables are inherently non-linear and non-stationary. Here we introduce Temporal Autoencoders for Causal Inference (TACI), a…

We propose new quantum algorithms for thermal and ground state preparation based on system-bath interactions. These algorithms require only forward evolution under a system-bath Hamiltonian in which the bath is a single reusable ancilla…

Detecting interaction effects among predictors on the response variable is a crucial step in various applications. In this paper, we first propose a simple method for sure screening interactions (SSI). Although its computation complexity is…

We show that strong parametric driving of a quantum harmonic oscillator coupled to a thermal bath allows one to distinguish between different microscopic models for the oscillator-bath coupling. We consider a bath with an Ohmic spectral…

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually…

This paper presents a novel feature selection method based on the conditional mutual information (CMI). The proposed High Order Conditional Mutual Information Maximization (HOCMIM) incorporates high order dependencies into the feature…

Human-robot collaboration (HRC) requires robots to adapt their motions to human intent to ensure safe and efficient cooperation in shared spaces. Although large language models (LLMs) provide high-level reasoning for inferring human intent,…

An autonomous adaptive MPC architecture is presented for control of heating, ventilation and air condition (HVAC) systems to maintain indoor temperature while reducing energy use. Although equipment use and occupant changes with time,…

Selective configuration interaction methods approximate correlated molecular ground- and excited states by considering only the most relevant Slater determinants in the expansion. While a recently proposed neural-network-assisted approach…

Human-computer interaction (HCI) has been a widely researched area for many years, with continuous advancements in technology leading to the development of new techniques that change the way we interact with computers. With the recent…