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The rapid growth of data-intensive applications such as generative AI, scientific simulations, and large-scale analytics is driving modern supercomputers and data centers toward increasingly heterogeneous and tightly integrated…
Accurate solution of the many-electron problem including correlations remains intractable except for few-electron systems. Describing interacting electrons as a superposition of independent electron configurations results in an apparent…
We present algorithmic improvements for fast and memory-efficient use of discrete spatial symmetries in Exact Diagonalization computations of quantum many-body systems. These techniques allow us to work flexibly in the reduced basis of…
Specialized function gradient computing hardware could greatly improve the performance of state-of-the-art optimization algorithms, e.g., based on gradient descent or conjugate gradient methods that are at the core of control, machine…
Low complexity error correction code is a key enabler for next generation ultra-reliable low-latency communications (xURLLC) in six generation (6G). Against this background, this paper proposes a decoding scheme for linear block code by…
Error-correcting codes are usually envisioned to counter errors by operating unitary corrections depending on the projective measurement results of some syndrome observables. We here propose a way to use them in a more integrated way, where…
To produce an operable quantum computer that is made with imperfect hardware, we must design and test scalable quantum error correcting codes that are suited for the devices we can build and, in unison, develop decoding strategies that…
This article describes a geometric partitioning software that can be used for quick computation of data partitions on many-core HPC machines. It is most suited for dynamic applications with load distributions that vary with time.…
Particle-in-cell merging algorithms aim to resample dynamically the six-dimensional phase space occupied by particles without distorting substantially the physical description of the system. Whereas various approaches have been proposed in…
The next generation of accelerators for MegaWatt proton, electron and heavy-ion beams puts unprecedented requirements on the accuracy of particle production predictions, the capability and reliability of the codes used in planning new…
Transport simulations are very valuable for extracting physics information from heavy-ion collision experiments. With the emergence of many different transport codes in recent years, it becomes important to estimate their robustness in…
The computational cost required to calculate nuclear correlation functions grows factorially in the number of quarks, making the study of large nuclei inaccessible to ab initio study using lattice QCD at the present time. However, the…
Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…
It is well-known that proper scaling can increase the efficiency of computational problems. In this paper we define and show that a balancing technique can substantially improve the computational efficiency of optimal control algorithms. We…
Affine systems reachability is the basis of many verification methods. With further computation, methods exist to reason about richer models with inputs, nonlinear differential equations, and hybrid dynamics. As such, the scalability of…
The scale of scientific High Performance Computing (HPC) and High Throughput Computing (HTC) has increased significantly in recent years, and is becoming sensitive to total energy use and cost. Energy-efficiency has thus become an important…
Index structures are important for efficient data access, which have been widely used to improve the performance in many in-memory systems. Due to high in-memory overheads, traditional index structures become difficult to process the…
Computing systems have become increasingly complex with the emergence of heterogeneous hardware combining multicore CPUs and GPUs. These parallel systems exhibit tremendous computational power at the cost of increased programming effort.…
Numerical programs form the foundation of modern science and engineering, providing essential solutions to complex mathematical problems. Therefore, errors in numerical results would lead to harmful consequences, especially in…
Building a new generation of fission reactors in the United States presents many technical and regulatory challenges. One important challenge is the need to share and present results from new high-fidelity, high-performance simulations in…