相关论文: Improved torque estimator for condensed-phase quas…
A microwave kinetic inductance detector (MKID) is a cutting-edge superconducting detector, and its principle is based on a superconducting resonator circuit. The superconducting transition temperature (Tc) of the MKID is an important…
Collisional and radiative dynamics of a plasma is exposed by so-called Collisional Radiative Models [1] that simplify the chemical kinetics by quasi-steady state assignment on certain types of particles. The assignment is conventionally…
We study numerical methods for dissipative particle dynamics (DPD), which is a system of stochastic differential equations and a popular stochastic momentum-conserving thermostat for simulating complex hydrodynamic behavior at mesoscales.…
Accurate and efficient modeling of cardiac blood flow is crucial for advancing data-driven tools in cardiovascular research and clinical applications. Recently, the accuracy and availability of computational fluid dynamics (CFD)…
Among other improvements, the Martini 3 coarse-grained force field provides a more accurate description of the solvation of protein pockets and channels through the consistent use of various bead types and sizes. Here, we show that the…
Calculating the observable properties of chemical systems is often classically intractable and is widely viewed as a promising application of quantum information processing. Yet one of the most common and important chemical systems in…
Semi-Inclusive Deep-Inelastic Scattering provides unique access to the three-dimensional momentum and spin structure of the proton, enabling precise studies of parton dynamics and hadronization in QCD. We present a transverse-momentum…
In contrast to the classical cyclic prefix (CP)-OFDM, the time domain synchronous (TDS)-OFDM employs a known pseudo noise (PN) sequence as guard interval (GI). Conventional channel estimation methods for TDS-OFDM are based on the…
Many optimally scaling quantum simulation algorithms employ controlled time evolution of the Hamiltonian, which is typically the major bottleneck for their efficient implementation. This work establishes a compression protocol for encoding…
Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…
We present a novel technique to incorporate precision calculations from quantum chromodynamics into fully differential particle-level Monte-Carlo simulations. By minimizing an information-theoretic quantity subject to constraints, our…
Pade-approximant methods are used to extract information about leading positive zeros or poles of QCD and SQCD beta-functions from the known terms of their perturbative series. For QCD, such methods are seen to corroborate the…
We study the QCD equation of state and other thermodynamic observables including the isentropic trajectories and the speed of sound. These observables are of eminent importance for the understanding of experimental results in heavy ion…
We address the problem of studying interstellar turbulence using spectral line data. We find a criterion when the velocity centroids may provide trustworthy velocity statistics. To enhance the scope of centroids applications, we construct a…
A statistical thermodynamic development is given of a new implicit solvent model that avoids the traditional system size limitations of computer simulation of macromolecular solutions with periodic boundary conditions. This implicit solvent…
The emergence of new nanoporous materials, based e.g. on 2D materials, offers new avenues for water filtration and energy. There is accordingly a need to investigate the molecular mechanisms at the root of the advanced performances of these…
Distribution estimation for noisy data via density deconvolution is a notoriously difficult problem for typical noise distributions like Gaussian. We develop a density deconvolution estimator based on quadratic programming (QP) that can…
Ab initio molecular dynamics (AIMD) is a powerful tool to predict properties of molecular and condensed matter systems. The quality of this procedure is based on accurate electronic structure calculations. The development of quantum…
Quantitative phase imaging (QPI) quantifies the sample-specific optical-phase-delay enabling objective studies of optically-transparent specimens such as biological samples, but lacks chemical sensitivity limiting its application to…
We have recently developed a breakthrough methodology for rapidly computing entropy in both solids and liquids by integrating a multiscale entropy approach (known as zentropy theory) with molecular dynamics (MD) simulations. This approach…