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Thermal radiative transfer (TRT) presents significant computational challenges due to the stiff, nonlinear coupling between radiation and material energy, particularly in multigroup, high-fidelity transport models. In this work, we develop…
The many-body nature of nuclear physics problems poses significant computational challenges. These challenges become even more pronounced when studying the resonance states of nuclear systems, which are governed by the non-Hermitian…
Stochastic nonlinear dynamical systems can undergo rapid transitions relative to the change in their forcing, for example due to the occurrence of multiple equilibrium solutions for a specific interval of parameters. In this paper, we…
We present TRAPHIC, a novel radiative transfer scheme for Smoothed Particle Hydrodynamics (SPH) simulations. TRAPHIC is designed for use in simulations exhibiting a wide dynamic range in physical length scales and containing a large number…
A method for identifying statistical equilibrium stages in dynamical multifragmentation paths as provided by transport models, already successfully tested for for the reaction ^{129}Xe+^{119}Sn at 32 MeV/u is applied here to a higher energy…
A quantum finite multi-barrier system, with a periodic potential, is considered and exact expressions for its plane wave amplitudes are obtained using the Transfer Matrix method [10]. This quantum model is then associated with a stochastic…
Stochastic reaction networks that exhibit bistability are common in many fields such as systems biology and materials science. Sampling of the stationary distribution is crucial for understanding and characterizing the long term dynamics of…
In this paper, we develop and analyze a stochastic algorithm for solving space-time fractional diffusion models, which are widely used to describe anomalous diffusion dynamics. These models pose substantial numerical challenges due to the…
Radiation is typically the most time-consuming physical process in numerical models. One solution is to use machine learning methods to simulate the radiation process to improve computational efficiency. From an operational standpoint, this…
Radial Bragg gratings are commonly used to enhance light extraction from quantum emitters, but lack a well-suited, fast simulation method for optimization beyond periodic designs. To overcome this limitation, we propose and demonstrate an…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
This work addresses linear transport in turbulent media, with emphasis on neutral particle (atoms, molecules) transport in magnetized fusion plasmas. A stochastic model for turbulent plasmas, based upon a multivariate Gamma distribution, is…
A combination of first principle molecular dynamics (MD) simulations with a rate equation model (MD-RE approach) is presented to study the trapping and the scattering of rare gas atoms from metal surfaces. The temporal evolution of the atom…
We develop a multi-dimensional, parallelized domain decomposition strategy (DDC) for mass-transfer particle tracking (MTPT) methods. These methods are a type of Lagrangian algorithm for simulating reactive transport and are able to be…
Thermal transport through nanosystems is central to numerous processes in chemistry, material sciences, electrical and mechanical engineering, with classical molecular dynamics as the key simulation tool. Here we focus on thermal junctions…
This paper addresses the mobility problem in massive multiple-input multiple-output systems, which leads to significant performance losses in the practical deployment of the fifth generation mobile communication networks. We propose a novel…
Analytical modeling of field-assisted molecular communication under dynamic electric fields is fundamentally challenging due to the coupling between stochastic transport and complex boundary geometries, which renders conventional partial…
A finite element method is presented to compute time harmonic microwave fields in three dimensional configurations. Nodal-based finite elements have been coupled with an absorbing boundary condition to solve open boundary problems. This…
Time-dependent electronic structure methods provide an efficient, accurate, and robust alternative to traditional time dependent methods for computing both linear and non-linear optical properties. With this in mind, we have developed the…
Computational determination of the equilibrium state of heterogeneous phospholipid mem-branes is a significant challenge. We wish to explore the rich phase diagram of these multi-component systems. However, the diffusion and mixing times in…