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The Direct Simulation Monte Carlo (DSMC) method is the gold standard for non-equilibrium rarefied gas dynamics, yet its computational cost can be prohibitive, especially for near-continuum regimes and high-fidelity \emph{ab initio}…
Variational quantum Monte Carlo (QMC) is an ab-initio method for solving the electronic Schr\"odinger equation that is exact in principle, but limited by the flexibility of the available ansatzes in practice. The recently introduced deep…
Quantum Monte Carlo (QMC) methods are some of the most accurate methods for simulating correlated electronic systems. We investigate the compatibility, strengths and weaknesses of two such methods, namely, diffusion Monte Carlo (DMC) and…
Based on the Sloan Digital Sky Survey (SDSS), we develop a new monte-carlo based method to estimate the photometric metallicity distribution function (MDF) for stars in the Milky Way. Compared with other photometric calibration methods,…
Purpose: To estimate fiber-specific $T_1$ values, i.e. proxies for myelin content, in heterogeneous brain tissue. Methods: A diffusion-$T_1$ correlation experiment was carried out on an in vivo human brain using tensor-valued diffusion…
In a recent Letter we introduced Hellmann-Feynman operator sampling in diffusion Monte Carlo calculations. Here we derive, by evaluating the second derivative of the total energy, an efficient method for the calculation of the static…
Sequential Monte Carlo (SMC) methods comprise one of the most successful approaches to approximate Bayesian filtering. However, SMC without good proposal distributions struggle in high dimensions. We propose nested sequential Monte Carlo…
We analyze a binary hypothesis testing problem built on a wireless sensor network (WSN) for detecting a stationary random process distributed both in space and time with circularly-symmetric complex Gaussian distribution under the…
Spiking neural networks (SNNs) have gained attention as models of sparse and event-driven communication of biological neurons, and as such have shown increasing promise for energy-efficient applications in neuromorphic hardware. As with…
A modified fluctuation-dissipation-theorem (MFDT) for a non-equilibrium steady state (NESS) is experimentally checked by studying the position fluctuations of a colloidal particle whose motion is confined in a toroidal optical trap. The…
We study a nearest neighbors ferromagnetic spin system on the square lattice in which the spin field is constrained to take values in a discretization of the unit circle consisting of $N$ equi-spaced vectors, also known as $N$-clock model.…
We have used diffusion quantum Monte Carlo (DMC) calculations to study the pressure-induced phase transition from the diamond to $\beta$-tin structure in silicon. The calculations employ the pseudopotential technique and systematically…
The mechanism driving core-collapse supernovae is sensitive to the interplay between matter and neutrino radiation. However, neutrino radiation transport is very difficult to simulate, and several radiation transport methods of varying…
We present high-accuracy correlated calculations of small Si$_x$H$_y$ molecular systems both in the ground and excited states. We employ quantum Monte Carlo (QMC) together with a variety of many-body wave function approaches based on basis…
Scanning magnetometry with nitrogen-vacancy (NV) centers in diamond has led to significant advances in the sensitive imaging of magnetic systems. The spatial resolution of the technique, however, remains limited to tens to hundreds of…
Very-low-Earth orbit drag uncertainty quantification in the rarefied/transitional Knudsen-number regime requires estimating not only the mean drag coefficient but also higher-order moments under atmospheric variability, which becomes…
In order to safely deploy Deep Neural Networks (DNNs) within the perception pipelines of real-time decision making systems, there is a need for safeguards that can detect out-of-training-distribution (OoD) inputs both efficiently and…
To deploy and operate deep neural models in production, the quality of their predictions, which might be contaminated benignly or manipulated maliciously by input distributional deviations, must be monitored and assessed. Specifically, we…
In this work, we report potential energy surfaces (PESs) of the sodium dimer calculated by variational (VMC) and lattice regularized diffusion Monte Carlo (LRDMC). The VMC calculation is accurate for determining the equilibrium distance and…
Nitrogen-vacancy (NV) centers in diamonds are a powerful tool for accurate magnetic field measurements. The key is precisely estimating the field-dependent splitting width of the optically detected magnetic resonance (ODMR) spectra of the…