Related papers: Short-time Accuracy and Intra-electron Correlation…
Existing measures of bipartite nonclassical correlation that is typically characterized by nonvanishing nonlocalizable information under the zero-way CLOCC protocol are expensive in computational cost. We define and evaluate economical…
We present a Bayesian approach to estimate the parameters of mathematical models of cardiac electrophysiology with quantified uncertainty. Such models capture the dynamics of the electrical signal that coordinates the muscle cell…
Excited-state molecular dynamics (ESMD) simulations near conical intersections (CIs) pose significant challenges when using machine learning potentials (MLPs). Although MLPs have gained recognition for their integration into mixed…
The ability to efficiently and accurately calculate equilibrium time correlation functions of many-body condensed phase quantum systems is one of the outstanding problems in theoretical chemistry. The Nakajima-Zwanzig-Mori formalism coupled…
Understanding the fundamental limits on the precision to which an optical phase can be estimated is of key interest for many investigative techniques utilized across science and technology. We study the estimation of a fixed optical phase…
We simulate the nonadiabatic dynamics of photo-induced isomerization and dissociation in ethylene using ab initio classical trajectories in an extended phase space of nuclear and electronic variables. This is achieved by employing the…
Pre-plasma conditions strongly influence laser-plasma interactions in the multi-petawatt (MPW) regime, increasing the need for reliable early-time plasma evolution diagnostics. Among available pre-plasma diagnostics, interferometry remains…
Spatial transcriptomics (ST) measures mRNA expression while preserving spatial organization, but multi-slice analysis faces two coupled difficulties: large non-rigid deformations across slices and inter-slice batch effects when alignment…
Understanding the limiting behavior of eigenvalues of random matrices is the central problem of random matrix theory. Classical limit results are known for many models, and there has been significant recent progress in obtaining more…
In this paper, we investigate how nonlocal correlations affect, selectively, the physics of correlated electrons over different energy scales, from the Fermi level to the band-edges. This goal is achieved by applying a diagrammatic…
We present a measurement-cost efficient implementation of Strongly-Contracted $N$-Electron Valence Perturbation Theory (SC-NEVPT2) for use on near-term quantum devices. At the heart of our algorithm we exploit the properties of adaptive…
This article presents a novel and practically useful link between geometric integration, low-discrepancy sampling and code coupling for Lagrangian and Eulerian Vlasov-Poisson solvers. Low-discrepancy sequences, also called quasi-random…
In this paper, the use of partitioned linear multistep methods (PLMM) as time integrators for the numerical approximation of some partial differential equations (pdes) is studied. We consider the periodic initial-value problem of two…
Classical nonlinear theories are highly successful in describing far-from-equilibrium dynamics of magnets, encompassing phenomena such as parametric resonance, ultrafast switching, and even chaos. However, at ultrashort length and time…
Two-dimensional electronic spectroscopy (2DES) provides a detailed picture of electronically nonadiabatic dynamics that can be interpreted with the aid of simulations. Here, we develop and contrast trajectory-based nonadiabatic dynamics…
To investigate inelastic electron scattering, which is ubiquitous in various fields of study, we carry out ab initio study of the real-time dynamics of a one-dimensional electron wave packet scattered by a hydrogen atom using different…
The critical quantum metrology, which exploits the quantum phase transition for high precision measurement, has gained increasing attention recently. The critical quantum metrology with the continuous quantum phase transition, however, is…
We introduce a new non-resonant low-regularity integrator for the cubic nonlinear Schr\"odinger equation (NLSE) allowing for long-time error estimates which are optimal in the sense of the underlying PDE. The main idea thereby lies in…
Motivation: Microarray experiments result in large scale data sets that require extensive mining and refining to extract useful information. We have been developing an efficient novel algorithm for nonmetric multidimensional scaling (nMDS)…
We introduce a derivative-free computational framework for approximating solutions to nonlinear PDE-constrained inverse problems. The aim is to merge ideas from iterative regularization with ensemble Kalman methods from Bayesian inference…