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The trade-off between accuracy and computational cost as a function of the size and number of simulation boxes was studied for large-scale phase-field simulations. For this purpose, a reference simulation box was incrementally partitioned.…
This dissertation presents the design, implementation and evaluation of GPU-accelerated simulation frameworks for Evolutionary Spatial Cyclic Games (ESCGs), a class of agent-based models used to study ecological and evolutionary dynamics.…
Stochastic programming can be applied to consider uncertainties in energy system optimization models for capacity expansion planning. However, these models become increasingly large and time-consuming to solve, even without considering…
Comprehending the performance bottlenecks at the core of the intricate hardware-software interactions exhibited by highly parallel programs on HPC clusters is crucial. This paper sheds light on the issue of automatically asynchronous MPI…
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…
Physical phenomena such as chemical reactions, bond breaking, and phase transition require molecular dynamics (MD) simulation with ab initio accuracy ranging from milliseconds to microseconds. However, previous state-of-the-art neural…
Particle-in-Cell (PIC) Monte Carlo (MC) simulations are central to plasma physics but face increasing challenges on heterogeneous HPC systems due to excessive data movement, synchronization overheads, and inefficient utilization of multiple…
The High-Luminosity upgrade of the LHC will see the accelerator reach an instantaneous luminosity of $7\times 10^{34} cm^{-2}s^{-1}$ with an average pileup of $200$ proton-proton collisions. These conditions will pose an unprecedented…
In this paper, we propose a framework of the mutual information-maximizing (MIM) quantized decoding for low-density parity-check (LDPC) codes by using simple mappings and fixed-point additions. Our decoding method is generic in the sense…
Quasi-N-body simulations, such as FastPM, provide a fast way to simulate cosmological structure formation, but have yet to adequately include the effects of massive neutrinos. We present a method to include neutrino particles in FastPM,…
Solving partial differential equations (PDEs) by numerical methods meet computational cost challenge for getting the accurate solution since fine grids and small time steps are required. Machine learning can accelerate this process, but…
This paper presents our work on designing scalable linear solvers for large-scale reservoir simulations. The main objective is to support implementation of parallel reservoir simulators on distributed-memory parallel systems, where MPI…
Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant…
As a competitive recovery method for heavy oil, In-Situ Combustion (ISC) shows its great potential accompanied by technological advances in recent years. Reservoir simulation will play an indispensable role in the prediction of the…
An in-house large eddy simulation tool is developed in order to reproduce high fidelity results of compressible jet flows. The large eddy simulation formulation is written using the finite difference approach, with an explicit time…
The performance of biomolecular molecular dynamics simulations has steadily increased on modern high performance computing resources but acceleration of the analysis of the output trajectories has lagged behind so that analyzing simulations…
The Simplex tableau has been broadly used and investigated in the industry and academia. With the advent of the big data era, ever larger problems are posed to be solved in ever larger machines whose architecture type did not exist in the…
We present the multi-GPU realization of the StePS (Stereographically Projected Cosmological Simulations) algorithm with MPI-OpenMP-CUDA hybrid parallelization and nearly ideal scale-out to multiple compute nodes. Our new zoom-in…
A new method for the simulation of evolving multi-domains problems has been introduced in a previous work (RealIMotion), Florez et al. (2020). In this article further developments of the model will be presented. The main focus here is a…
The parallel linear equations solver capable of effectively using 1000+ processors becomes the bottleneck of large-scale implicit engineering simulations. In this paper, we present a new hierarchical parallel master-slave-structural…