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Simulating physical problems involving multi-time scale coupling is challenging due to the need of solving these multi-time scale processes simultaneously. In response to this challenge, this paper proposed an explicit multi-time step…
The Poisson-Fermi model is an extension of the classical Poisson-Boltzmann model to include the steric and correlation effects of ions and water treated as nonuniform spheres in aqueous solutions. Poisson-Boltzmann electrostatic…
In this extended abstract, we have introduced a highly memory-efficient state vector simulation of quantum circuits premised on data compression, harnessing the capabilities of both CPUs and GPUs. We have elucidated the inherent challenges…
In this paper, we present dSASA (differentiable SASA), an exact geometric method to calculate solvent accessible surface area (SASA) analytically along with atomic derivatives on GPUs. The atoms in a molecule are first assigned to…
We develop a unified continuum modeling framework for viscous fluids and hyperelastic solids using the Gibbs free energy as the thermodynamic potential. This framework naturally leads to a pressure primitive variable formulation for the…
We present an algorithm to simulate the many-body depletion interaction between anisotropic colloids in an implicit way, integrating out the degrees of freedom of the depletants, which we treat as an ideal gas. Because the depletant…
Oscillator-based Ising machines (OIMs) and oscillator-based Potts machines (OPMs) have emerged as promising hardware accelerators for solving NP-hard combinatorial optimization problems by leveraging the phase dynamics of coupled…
Cardiovascular disease affects millions of people worldwide and its social and economic cost clearly motivates scientific research. Computer simulation can lead to a better understanding of cardiac physiology, and for pathology presents…
Graphics Processing Units (GPUs) leverage massive parallelism and large memory bandwidth to support high-performance computing applications, such as multimedia rendering, crypto-mining, deep learning, and natural language processing. These…
We review a scalable two- and three-dimensional computer code for low-temperature plasma simulations in multi-material complex geometries. Our approach is based on embedded boundary (EB) finite volume discretizations of the minimal…
Image super-resolution (SR) has attracted increasing attention due to its wide applications. However, current SR methods generally suffer from over-smoothing and artifacts, and most work only with fixed magnifications. This paper introduces…
Agent-based cellular models simulate tissue evolution by capturing the behavior of individual cells, their interactions with neighboring cells, and their responses to the surrounding microenvironment. An important challenge in the field is…
In recent years, molecular dynamics (MD) simulations have emerged as a pivotal tool for understanding the structure, dynamics, and phase behavior in charged soft matter systems. To explore phenomena across greater length and time scales in…
With large-scale Integral Field Spectroscopy (IFS) surveys of thousands of galaxies currently under-way or planned, the astronomical community is in need of methods, techniques and tools that will allow the analysis of huge amounts of data.…
A fully coupled implicit finite-volume algorithm for incompressible viscoelastic interfacial flows is proposed, whereby the viscoelasticity of the flow is described by an upper-convected Maxwell constitutive model, including limited…
Several different approaches are proposed for solving fully implicit discretizations of a simplified Boltzmann-Poisson system with a linear relaxation-type collision kernel. This system models the evolution of free electrons in…
Serving large language models (LLMs) is expensive, especially for providers hosting many models, making cost reduction essential. The unique workload patterns of serving multiple LLMs (i.e., multi-LLM serving) create new opportunities and…
The complex regulatory dynamics of a biological network can be succinctly captured using discrete logic models. Given even sparse time-course data from the system of interest, previous work has shown that global optimization schemes are…
The recently developed energy conserving semi-implicit method (ECsim) for PIC simulation is applied to multiple scale problems where the electron-scale physics needs to be only partially retained and the interest is on the macroscopic or…
Nonequilibrium flows have been frequently encountered in various aerospace engineering applications. To understand nonequilibrium physics, multiscale effects, and the dynamics in these applications, an effective and reliable multiscale…