Related papers: Linear Response Selected Configuration Interaction
We present a direct data-driven approach to synthesize robust control invariant (RCI) sets and their associated gain-scheduled feedback control laws for linear parameter-varying (LPV) systems subjected to bounded disturbances. A data-set…
When dealing with real-world optimization problems, decision-makers usually face high levels of uncertainty associated with partial information, unknown parameters, or complex relationships between these and the problem decision variables.…
We present efficient algorithms for using selected configuration interaction (sCI) trial wave functions in phaseless auxiliary field quantum Monte Carlo (ph-AFQMC). These advancements, geared towards optimizing computational performance for…
We present a perspective on what the future holds for full configuration interaction (FCI) theory, with an emphasis on conceptual rather than technical details. Upon revisiting the early history of FCI, a number of its key contemporary…
High-dimensional, heterogeneous data with complex feature interactions pose significant challenges for traditional predictive modeling approaches. While Projection to Latent Structures (PLS) remains a popular technique, it struggles to…
The increased throughput brought by MIMO technology relies on the knowledge of channel state information (CSI) acquired in the base station (BS). To make the CSI feedback overhead affordable for the evolution of MIMO technology (e.g.,…
To avoid the combinatorial computational cost of configuration interaction (CI), we have previously introduced the symmetric tensor decomposition CI (STD-CI) method, where we take advantage of the antisymmetric nature of the electronic wave…
This paper is concerned with the design of a linear control law for linear systems with stationary additive disturbances. The objective is to find a state feedback gain that minimizes a quadratic stage cost function, while observing chance…
By performing a stochastic dynamic in a space of Slater determinants, the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) method has been able to obtain energies which are essentially free from systematic error to the basis set…
The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning has long been a challenge in quantum chemistry. The difficulty in drawing physical conclusions from a wavefunction is often…
We introduce the pCI software package for high-precision atomic structure calculations. The standard method of calculation is based on the configuration interaction (CI) method to describe valence correlations, but can be extended to attain…
Over the past few decades, there has been a rapid improvement in computational power as well as techniques to simulate the real world phenomenon which has enabled us to understand the physics and develop new systems which outperform the…
Lateral predictive coding (LPC) is a simple theoretical framework to appreciate feature detection in biological neural circuits. Recent theoretical work [Huang et al., Phys.Rev.E 112, 034304 (2025)] has successfully constructed optimal LPC…
Locally Rotation Invariant (LRI) image analysis was shown to be fundamental in many applications and in particular in medical imaging where local structures of tissues occur at arbitrary rotations. LRI constituted the cornerstone of several…
To fully unlock the benefits of multiple-input multiple-output (MIMO) networks, downlink channel state information (CSI) is required at the base station (BS). In frequency division duplex (FDD) systems, the CSI is acquired through a…
Solving fluid-structure interaction (FSI) problems when the densities are similar (large added mass), such as in hemodynamics, is challenging since the stability and convergence of the adopted numerical scheme could be compromised. In…
Diffusion-based Molecular Communication (MC) is inherently challenged by severe inter-symbol interference (ISI). This is significantly amplified in mobile scenarios, where the channel impulse response (CIR) becomes time-varying and…
Proposals for molecular communication networks as part of a future internet of bio-nano-things have become more intricate and the question of practical implementation is gaining more importance. One option is to apply detailed chemical…
Reduced-order dynamical models play a central role in developing our understanding of predictability of climate irrespective of whether we are dealing with the actual climate system or surrogate climate-models. In this context, the…
We study several approaches to orbital optimization in selected configuration interaction plus perturbation theory (SCI+PT) methods, and test them on the ground and excited states of three molecules using the semistochastic heatbath…