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CONQUEST is a DFT code which was designed from the beginning to enable extremely large-scale calculations on massively parallel platforms, implementing both exact and linear scaling solvers for the ground state. It uses local basis sets…
One of the most exciting advancements in AI over the last decade is the wide adoption of ANNs, such as DNN and CNN, in many real-world applications. However, the underlying massive amounts of computation and storage requirement greatly…
Fast, scalable decoding architectures that operate in a block-wise parallel fashion across space and time are essential for real-time fault-tolerant quantum computing. We introduce a scalable AI-based pre-decoder for the surface code that…
As the method to completely characterize quantum dynamical processes, quantum process tomography (QPT) is vitally important for quantum information processing and quantum control, where the faithfulness of quantum devices plays an essential…
Elegant is an accelerator physics and particle-beam dynamics code widely used for modeling and design of a variety of high-energy particle accelerators and accelerator-based systems. In this paper we discuss a recently developed version of…
Path planning is an active area of research essential for many applications in robotics. Popular techniques include graph-based searches and sampling-based planners. These approaches are powerful but have limitations. This paper continues…
Radiative transfer modelling is part of many astrophysical simulations and is used to make synthetic observations and to assist analysis of observations. We concentrate on the modelling of the radio lines emitted by the interstellar medium.…
In-SRAM computing promises energy efficiency, but circuit nonlinearities and PVT variations pose major challenges in designing robust accelerators. To address this, we introduce OPTIMA, a modeling framework that aids in analyzing bit-line…
Automated program repair (APR) aims to fix software bugs automatically without human debugging efforts and plays a crucial role in software development and maintenance. Despite promising, APR is still challenged by a long-standing…
Recent increases in supercomputing power, driven by the multi-core revolution and accelerators such as the IBM Cell processor, graphics processing units (GPUs) and Intel's Many Integrated Core (MIC) technology have enabled kinetic…
While many theoretical works concerning Adaptive Dynamic Programming (ADP) have been proposed, application results are scarce. Therefore, we design an ADP-based optimal trajectory tracking controller and apply it to a large-scale…
Neural operators have achieved promising performance on partial differential equations (PDEs), but most existing models are built on fixed Eulerian coordinates. This mismatch between evolving physical structures and static coordinates…
Atom probe tomography (APT) provides the three-dimensional composition of materials at near-atomic length scales, achieving detection limits in the range of tens of atomic parts-per-million regardless of element type. APT requires the…
Scientific software is often driven by multiple parameters that affect both accuracy and performance. Since finding the optimal configuration of these parameters is a highly complex task, it extremely common that the software is used…
Quantum process tomography (QPT) is a fundamental task to characterize the dynamics of quantum systems. In contrast to standard QPT, ancilla-assisted process tomography (AAPT) framework introduces an extra ancilla system such that a single…
Approximate multipliers are widely being advocated for energy-efficient computing in applications that exhibit an inherent tolerance to inaccuracy. However, the inclusion of accuracy as a key design parameter, besides the performance, area…
The Kassiopeia particle tracking framework is an object-oriented software package using modern C++ techniques, written originally to meet the needs of the KATRIN collaboration. Kassiopeia features a new algorithmic paradigm for particle…
We have newly developed a Parallelized Particle-Particle Particle-tree code for Planet formation, PENTACLE, which is a parallelized hybrid $N$-body integrator executed on a CPU-based (super)computer. PENTACLE uses a 4th-order Hermite…
Advanced Persistent Threat (APT) attack usually refers to the form of long-term, covert and sustained attack on specific targets, with an adversary using advanced attack techniques to destroy the key facilities of an organization. APT…
The boolean satisfiability (SAT) problem asks whether there exists an assignment of boolean values to the variables of an arbitrary boolean formula making the formula evaluate to True. It is well-known that all NP-problems can be coded as…