Related papers: FSSH-2: Fewest Switches Surface Hopping with robus…
In this paper, we analyze the performance of a reconfigurable intelligent surface (RIS)-assisted multi-hop transmission by employing multiple RIS units to enable favorable communication for a mixed free-space optical (FSO) and…
Fully homomorphic encryption (FHE) enables computation on encrypted data without decryption, making it central to privacy-preserving applications. However, no existing scheme efficiently supports both arithmetic and comparison operations in…
The Hubbard model represents the fundamental model for interacting quantum systems and electronic correlations. Using the two-dimensional half-filled Hubbard model at weak coupling as a testing ground, we perform a comparative study of a…
Real-world data contain uncertainty and variations that can be correlated to external variables, known as randomness. An alternative cause of randomness is chaos, which can be an important component of chaotic time series. One of the…
We derive and implement analytic nuclear gradients and derivative couplings for a constrained Complete Active Space Self-Consistent Field with a small active space designed to model electron or hole transfer. Using a Lagrangian formalism,…
The selective frequency damping (SFD) method is an alternative to classical Newton's method to obtain unstable steady-state solutions of dynamical systems. However this method has two main limitations: it does not converge for arbitrary…
Floating-point square-root computation is a power- and delay-critical operation in edge-AI, signal-processing, and embedded systems. Conventional implementations typically rely on multipliers or iterative pipelines, resulting in increased…
A wide variety of dissipative state preparation schemes suffer from a basic time-entanglement tradeoff: the more entangled the steady state, the slower the relaxation to the steady state. Here, we show how a minimal kind of adaptive…
In this paper we develop a dual-support smoothed particle hydrodynamics (DS-SPH) that naturally satisfies the conservation of momentum, angular momentum and energy when the varying smoothing length is utilized. The DS-SPH is based on the…
We seek to accelerate and increase the size of simulations for fluid-structure interactions (FSI) by using multiple resolutions in the spatial discretization of the equations governing the time evolution of systems displaying two-way…
We propose a method to adiabatically control an atomic ensemble using a decoherence-free subspace (DFS) within a dissipative cavity. We can engineer a specific eigenstate of the system's Lindblad jump operators by injecting a field into the…
In response to a community prediction challenge, we simulate the nonadiabatic dynamics of cyclobutanone using the mapping approach to surface hopping (MASH). We consider the first 500 fs of relaxation following photo-excitation to the S2…
The paper proposes a new hybrid Bayesian network learning algorithm, termed Forward Early Dropping Hill Climbing (FEDHC), devised to work with either continuous or categorical variables. Further, the paper manifests that the only…
We derive the scaling limit for the Hierarchical Random Hopping dynamics for the non cascading 2-GREM at low temperatures and time scales where the dynamics is close to equilibrium. The {\em fine tuning} phenomenon plays a role (under…
An analysis of the network defined by the potential energy minima of multi-atomic systems and their connectivity via reaction pathways that go through transition states allows to understand important characteristics like thermodynamic,…
Distribution-dependent stochastic dynamical systems arise widely in engineering and science. We consider a class of such systems which model the limit behaviors of interacting particles moving in a vector field with random fluctuations. We…
This paper provides the first ab-initio on-the-fly example of using the Quasi-Diabatic (QD) scheme for non-adiabatic simulations with diabatic dynamics approaches. The QD scheme provides a seamless interface between diabatic quantum…
Few-shot learning (FSL) enables machine learning models to generalize effectively with minimal labeled data, making it crucial for data-scarce domains such as healthcare, robotics, and natural language processing. Despite its potential, FSL…
Fast quasi-adiabatic driving (FAQUAD) is a central technique in shortcuts to adiabaticity (STA), enabling accelerated adiabatic evolution by optimizing the rate of change of a single control parameter. However, many realistic systems are…
Since many years, sub-60mV/decade switching has been reported in ferroelectric FETs. However, thus far these reports have lacked full physical explanation since they typically use a negative capacitance in the ferroelectric layer to be able…