相关论文: Simulating X-ray absorption spectra with linear-re…
Theory of one-electron transition density matrices has been formulated within the time-independent coupled cluster method for the polarization propagator [R. Moszynski, P. S. \.Zuchowski, and B. Jeziorski, Coll. Czech. Chem. Commun. {\bf…
The bottleneck in enhanced sampling lies in finding collective variables (CVs) that can effectively accelerate protein conformational changes. True reaction coordinates (tRCs) that can predict the committor are considered the optimal CVs,…
The scale-resolving simulation of high speed compressible flow through direct numerical simulation (DNS) or large eddy simulation (LES) requires shock-capturing schemes to be more accurate for resolving broadband turbulence and robust for…
Compressive Sensing (CS) has been applied successfully in a wide variety of applications in recent years, including photography, shortwave infrared cameras, optical system research, facial recognition, MRI, etc. In wireless sensor networks…
Deep learning methods, in particular, trained Convolutional Neural Networks (CNN) have recently been shown to produce compelling results for single image Super-Resolution (SR). Invariably, a CNN is learned to map the Low Resolution (LR)…
The Digital Correlated Double Sampling (DCDS) is a technique based on multiple analog-to-digital conversions of every pixel when reading a CCD out. This technique allows to remove analog integrators, simplifying the readout electronics…
Absorption imaging is a commonly adopted method to acquire, with high temporal resolution, spatial information on a partially transparent object. It relies on the interference between a probe beam and the coherent response of the object. In…
Highly accurate methods such as coupled cluster (CC) techniques can be used for periodic systems within the framework of the method of increments. Its extension to low-dimensional conducting system is considered. To demonstrate the…
This research considers potential dose increase in target due to cisplatin (Pt) concentration and radiation type. Cisplatin concentrations from 0.003 to 120 mM were used. Monte-Carlo simulation of Linear accelerator (Elekta Synergy) and…
Reducing acquisition time is a crucial challenge for many imaging techniques. Compressed Sensing (CS) theory offers an appealing framework to address this issue since it provides theoretical guarantees on the reconstruction of sparse…
Calculating charge transfer (CT) excitation energies with high accuracy and low computational cost is a challenging task. Kohn-Sham density functional theory (KS-DFT), due to its efficiency and accuracy, has achieved great success in…
In this work we revisit the classic problem of homogeneous nucleation of a liquid droplet in a supersaturated vapor phase. We consider this at different extents of the driving force, which here is the extent of supersaturation, and…
This paper proposes a novel framework for accelerating support vector clustering. The proposed method first computes much smaller compressed data sets while preserving the key cluster properties of the original data sets based on a novel…
In this paper, we propose a novel concept for engineered molecular communication (MC) systems inspired by animal olfaction. We focus on a multi-user scenario where transmitters employ unique mixtures of different types of signaling…
In this paper, a novel model-based distributed compressive sensing (DCS) algorithm is proposed. DCS exploits the inter-signal correlations and has the capability to jointly recover multiple sparse signals. Proposed approach is a Bayesian…
The increasingly demand for machining accuracy and product quality excites a great interest in high-resolution non-destructive testing (NDT) methods, but spatial resolution of conventional high-energy computed tomography (CT) is limited to…
The void power spectrum is related to the clustering of low-density regions in the large-scale structure (LSS) of the Universe, and can be used as an effective cosmological probe to extract the information of the LSS. We generate the galaxy…
X-ray interaction with matter is an energy-dependent process that is contingent on the atomic structure of the constituent material elements. The most advanced models to capture this relationship currently rely on Monte Carlo (MC)…
We present a method for computing resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address the problem, we shift the computational…
A new perturbative approach to canonical equation-of-motion coupled-cluster theory is presented using coupled-cluster perturbation theory. A second-order M{\o}ller-Plesset partitioning of the Hamiltonian is used to obtain the well known…