Related papers: Incorporation of Internal Coordinates Interpolatio…
Transition state (TS) searches are a critical bottleneck in computational studies of chemical reactivity, as accurately capturing complex phenomena like bond breaking and formation events requires repeated evaluations of expensive ab-initio…
We derive a Fast Multipole Method (FMM) where a low-rank approximation of the kernel is obtained using the Empirical Interpolation Method (EIM). Contrary to classical interpolation-based FMM, where the interpolation points and basis are…
Finite state machines (FSMs) regulate sequential circuits, including access to sensitive information and privileged CPU states. Courtesy of contemporary research on laser attacks, laser-based fault injection (LFI) is becoming even more…
Crystal-structure match (CSM), the atom-to-atom correspondence between two crystalline phases, is used extensively to describe solid-solid phase transition (SSPT) mechanisms. However, existing computational methods cannot account for all…
We investigate the crystallization mechanism of a single, flexible homopolymer chain with short range attractions. For a sufficiently narrow attractive well, the system undergoes a first-order like freezing transition from an expanded…
A procedure is discussed for creating coherent superpositions of motional states of ion strings. The motional states are across the structural transition linear-zigzag, and their coherent superposition is achieved by means of spin-dependent…
We propose an algorithm for molecular dynamics or Monte Carlo simulations that uses an interpolation procedure to estimate potential energy values from energies and gradients evaluated previously at points of a simplicial mesh. We chose an…
In this work we study the phase sensitivity of generic linear interferometric schemes using Gaussian resources and measurements. Our formalism is based on the Fisher information. This allows us to separate the contributions of the…
We propose a Fast Fourier Transform based Periodic Interpolation Method (FFT-PIM), a flexible and computationally efficient approach for computing the scalar potential given by a superposition sum in a unit cell of an infinitely periodic…
In the immunohistochemical (IHC) analysis during surgery, frozen-section (FS) images are used to determine the benignity or malignancy of the tumor. However, FS image faces problems such as image contamination and poor nuclear detail, which…
Diverse synchronization dynamics within the grid-following (GFL)/grid-forming (GFM) converters-interlinked system are prone to induce oscillatory instabilities. To quantify their stability influences, frequency-domain modal analysis (FMA)…
Internal Language Model Estimation (ILME) based language model (LM) fusion has been shown significantly improved recognition results over conventional shallow fusion in both intra-domain and cross-domain speech recognition tasks. In this…
An implementation of the fast multiple method (FMM) is performed for magnetic systems with long-ranged dipolar interactions. Expansion in spherical harmonics of the original FMM is replaced by expansion of polynomials in Cartesian…
This report details an approach to improve the accuracy and precision of free energy difference estimates using thermodynamic integration data (slope of the free energy with respect to the switching variable lambda) and its application to…
Molecule- and particle-based simulations provide the tools to test, in microscopic detail, the validity of classical nucleation theory. In this endeavour, determining nucleation mechanisms and rates for phase separation requires an…
Recently it has been shown that precise dose control and an increase in the overall acquisition speed of atomic resolution scanning transmission electron microscope (STEM) images can be achieved by acquiring only a small fraction of the…
We present a new scheme to efficiently establish entanglement between optical modes in a time-multiplexed coherent Ising machine (CIM) by means of nonlocal measurement and feedback. We numerically simulate and evaluate the generation of…
In this paper, we propose a new trigonometric interpolation algorithm and establish relevant convergent properties. The method adjusts an existing trigonometric interpolation algorithm such that it can better leverage Fast Fourier Transform…
Implementation of the quantum interferometry concept to spin-1 atomic Bose-Einstein condensates is analyzed by employing a polar state evolved in time. In order to identify the best interferometric configurations, the quantum Fisher…
Small mechanical forces play important functional roles in many crucial cellular processes, including in the dynamical behavior of the cytoskeleton and in the regulation of osmotic pressure through membrane-bound proteins. Molecular…