Related papers: A performance portable implementation of the semi-…
Modeling a high-dimensional Hamiltonian system in reduced dimensions with respect to coarse-grained (CG) variables can greatly reduce computational cost and enable efficient bottom-up prediction of main features of the system for many…
The high-performance computing (HPC) community has recently seen a substantial diversification of hardware platforms and their associated programming models. From traditional multicore processors to highly specialized accelerators, vendors…
Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…
Current trends in parallel processors call for the design of efficient massively parallel algorithms for scientific computing. Parallel algorithms for Monte Carlo simulations of thermodynamic ensembles of particles have received little…
Vlasov solvers that operate on a phase-space grid are highly accurate but also numerically demanding. Coarse velocity space resolutions, which are unproblematic in particle-in-cell (PIC) simulations, can lead to numerical heating or…
Due to the very long timescales involved (us-s), theoretical modeling of fundamental biological processes including folding, misfolding, and mechanical unraveling of biomolecules, under physiologically relevant conditions, is challenging…
An algorithm is derived for computer simulation of geodesics on the constant potential-energy hypersurface of a system of N classical particles. First, a basic time-reversible geodesic algorithm is derived by discretizing the geodesic…
Kinetic simulations of collisionless (or weakly collisional) plasmas using the Vlasov equation are often infeasible due to high resolution requirements and the exponential scaling of computational cost with respect to dimension. Recently,…
3D Gaussian Splatting (3DGS) has emerged as a mainstream solution for novel view synthesis and 3D reconstruction. By explicitly encoding a 3D scene using a collection of Gaussian kernels, 3DGS achieves high-quality rendering with superior…
This paper presents the implementation of a HLLC finite volume solver using GPU technology for the solution of shallow water problems in two dimensions. It compares both CPU and GPU approaches for implementing all the solver's steps. The…
In this work, we present a discontinuous-Galerkin method for evolving relativistic hydrodynamics. We include an exploration of analytical and iterative methods to recover the primitive variables from the conserved variables for the ideal…
The discontinuous Galerkin (DG) finite element method is conservative, lends itself well to parallelization, and is high-order accurate due to its close affinity with the theory of quadrature and orthogonal polynomials. When applied with an…
Gaussian process (GP) regression is a popular surrogate modeling tool for computer simulations in engineering and scientific domains. However, it often struggles with high computational costs and low prediction accuracy when the simulation…
Despite the numerous uses of semidefinite programming (SDP) and its universal solvability via interior point methods (IPMs), it is rarely applied to practical large-scale problems. This mainly owes to the computational cost of IPMs that…
The next generation of Department of Energy supercomputers will be capable of exascale computation. For these machines, far more computation will be possible than that which can be saved to disk. As a result, users will be unable to rely on…
Semi-Lagrangian solvers for the Vlasov system offer noiseless solutions compared to Lagrangian particle methods and can handle larger time steps compared to Eulerian methods. In order to reduce the computational complexity of the…
We introduce a learning-based framework to optimize tensor programs for deep learning workloads. Efficient implementations of tensor operators, such as matrix multiplication and high dimensional convolution, are key enablers of effective…
This paper proposes a novel set of trigonometric implementations which are 5x faster than the inbuilt C++ functions. The proposed implementation is also highly memory efficient requiring no precomputations of any kind. Benchmark comparisons…
Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and…
We consider the solution of the fully kinetic (including electrons) Vlasov-Amp\`ere system in a one-dimensional physical space and two-dimensional velocity space (1D-2V) for an arbitrary number of species with a time-implicit Eulerian…