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The tremendous advance in computer technology in the past decade has made it possible to achieve the performance of a supercomputer on a very small budget. We have built a multi-CPU cluster of Pentium PC capable of parallel computations…
This work introduces an innovative parallel, fully-distributed finite element framework for growing geometries and its application to metal additive manufacturing. It is well-known that virtual part design and qualification in additive…
A new Approximate Bayesian Computation (ABC) algorithm for Bayesian updating of model parameters is proposed in this paper, which combines the ABC principles with the technique of Subset Simulation for efficient rare-event simulation, first…
With the rapid innovation of GPUs, heterogeneous GPU clusters in both public clouds and on-premise data centers have become increasingly commonplace. In this paper, we demonstrate how pipeline parallelism, a technique wellstudied for…
Transient stability simulation of a large-scale and interconnected electric power system involves solving a large set of differential algebraic equations (DAEs) at every simulation time-step. With the ever-growing size and complexity of…
The design of quantum many body systems, which have to fulfill an extensive number of constraints, appears as a formidable challenge within the field of quantum simulation. Lattice gauge theories are a particular important class of quantum…
Large-scale graph processing has drawn great attention in recent years. Most of the modern-day datacenter workloads can be represented in the form of Graph Processing such as MapReduce etc. Consequently, a lot of designs for Domain-Specific…
Simulations of chemical reaction probabilities in gas surface dynamics require the calculation of ensemble averages over many tens of thousands of reaction events to predict dynamical observables that can be compared to experiments. At the…
Coupling separately developed codes offers an attractive method for increasing the accuracy and fidelity of the computational models. Examples include the earth sciences and fusion integrated modeling. This paper describes the Framework…
A new algorithm for Monte Carlo calculation of the double exchange model is studied. The algorithm is commonly applicable to wide classes of strongly correlated electron systems which involve itinerant electrons coupled with…
The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…
Ensemble calculations are essential for systems with uncertain data but require substantial increase in computational resources. This increase severely limits ensemble size. To reach beyond current limits, we present a first-order…
Computations have helped elucidate the dynamics of Earth's mantle for several decades already. The numerical methods that underlie these simulations have greatly evolved within this time span, and today include dynamically changing and…
Lattice Quantum ChromoDynamics (QCD), and by extension its parent field, Lattice Gauge Theory (LGT), make up a significant fraction of supercomputing cycles worldwide. As such, it would be irresponsible not to evaluate machines' suitability…
Machine learning potentials (MLPs) trained on data from quantum-mechanics based first-principles methods can approach the accuracy of the reference method at a fraction of the computational cost. To facilitate efficient MLP-based molecular…
We present shared-memory parallel methods for Maximal Clique Enumeration (MCE) from a graph. MCE is a fundamental and well-studied graph analytics task, and is a widely used primitive for identifying dense structures in a graph. Due to its…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
As users and developers, we are witnessing the opening of a new computing scenario: the introduction of hybrid processors into a single die, such as an accelerated processing unit (APU) processor, and the plug-and-play of additional…
Design of next generation computer systems should be supported by simulation infrastructure that must achieve a few contradictory goals such as fast execution time, high accuracy, and enough flexibility to allow comparison between large…
This paper describes two research projects that develop new low-cost techniques for testing devices with multiple high-speed (2 to 5 Gbps) signals. Each project uses commercially available components to keep costs low, yet achieves…