Related papers: Taming the Virtual Space for Incremental Full Conf…
Even though mobile robots have been around for decades, trajectory optimization and continuous time collision avoidance remain subject of active research. Existing methods trade off between path quality, computational complexity, and…
Full waveform inversion (FWI) aims to reconstruct unknown physical coefficients in wave equations using the wavefield data generated from multiple incoming sources. In this work, we propose an offline-online computational strategy for…
We propose a configuration-interaction (CI) representation to calculate induced nuclear fission with explicit inclusion of nucleon-nucleon interactions in the Hamiltonian. The framework is designed for easy modeling of schematic…
Accuracy, variationality, and convergence underpin the reliability of modern electronic structure methods, yet definitive benchmarks in the relativistic regime remain elusive due to the absence of numerically exact full configuration…
Inverse optimal control (IOC) is a promising paradigm for learning and mimicking optimal control strategies from capable demonstrators, or gaining a deeper understanding of their intentions, by estimating an unknown objective function from…
Modern applications of atomic physics, including the determination of frequency standards, and the analysis of astrophysical spectra, require prediction of atomic properties with exquisite accuracy. For complex atomic systems,…
CPI is a novel imaging modality capable of addressing the intrinsic limitations of conventional plenoptic imaging - namely, the resolution loss and the sacrificed change of perspective, - while guaranteeing the typical advantages of…
Simulating entangled atoms is a prerequisite to modeling quantum materials and remains an outstanding challenge for theory. I introduce a correlated wavefunction approach capable of simulating large entangled systems, and demonstrate its…
We present NECI, a state-of-the-art implementation of the Full Configuration Interaction Quantum Monte Carlo algorithm, a method based on a stochastic application of the Hamiltonian matrix on a sparse sampling of the wave function. The…
In common with many high-accuracy electronic structure methods, the initiator adaptation of full configuration interaction quantum Monte Carlo (i-FCIQMC) has difficulty treating realistic systems with large numbers of electrons. This…
In this paper, we investigate reconfigurable intelligent surface (RIS)-aided multiple-input-multiple-output (MIMO) OAC systems designed to emulate the fully-connected (FC) layer of a neural network (NN) via analog OAC, where the RIS and the…
Modern physics experiments often utilize FPGA-based systems for real-time data acquisition. Integrated analog electronics demand for complex calibration routines. Furthermore, versatile configuration and control of the whole system is a key…
Using the homogeneous electron gas (HEG) as a model, we investigate the sources of error in the `initiator' adaptation to Full Configuration Interaction Quantum Monte Carlo (i-FCIQMC), with a view to accelerating convergence. In particular…
Constrained Bayesian optimization (CBO) methods have seen significant success in black-box optimization with constraints. One of the most commonly used CBO methods is the constrained expected improvement (CEI) algorithm. CEI is a natural…
A new large-scale parallel multiconfigurational self-consistent field (MCSCF) implementation in the open-source NWChem computational chemistry code is presented. The generalized active space (GAS) approach is used to partition large…
We propose doubly occupied configuration interaction-quantum selected configuration interaction (DOCI-QSCI), which samples from the seniority-zero space. While the use of this space effectively doubles the qubit budget, equaling the number…
Due to their cost, experiments for inertial confinement fusion (ICF) heavily rely on numerical simulations to guide design. As simulation technology progresses, so too can the fidelity of models used to plan for new experiments. However,…
In recent years, quantum Ising machines have drawn a lot of attention, but due to physical implementation constraints, it has been difficult to achieve dense coupling, such as full coupling with sufficient spins to handle practical…
Correlation Plenoptic Imaging (CPI) is a novel technological imaging modality enabling to overcome drawbacks of standard plenoptic devices, while preserving their advantages. However, a major challenge in view of real-time application of…
The Fermi-L\"owdin orbital (FLO) approach to the Perdew-Zunger self-interaction correction (PZ-SIC) to density functional theory (DFT) is described and an improved approach to the problem of optimizing the Fermi-orbitals in order to…