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Machine-learning-based interatomic potential energy surface (PES) models are revolutionizing the field of molecular modeling. However, although much faster than electronic structure schemes, these models suffer from costly computations via…
Evaluating quantum algorithms at utility-scale - involving more than 100 qubits - is a key step toward advancing real-world applications of quantum computing. In this study, we benchmark seven state-of-the-art quantum emulators employing…
With the increasing size of quantum processors, sub-modules that constitute the processor hardware will become too large to accurately simulate on a classical computer. Therefore, one would soon have to fabricate and test each new design…
An Equivalent Circuit Programming (ECP) approach that expresses the optimality conditions of an optimization problem in terms of an equivalent circuit model and uses circuit simulation techniques to solve for an optimal solution, is applied…
High-performance computing (HPC) is essential for tackling complex computational problems across various domains. As the scale and complexity of HPC applications continue to grow, the need for scalable systems and software architectures…
Smart grid advancements and the increased integration of digital devices have transformed the existing power grid into a cyber-physical energy system. This reshaping of the current power system can make it vulnerable to cyberattacks, which…
The overall performance of the development of computing systems has been engrossed on enhancing demand from the client and enterprise domains. but, the intake of ever-increasing energy for computing systems has commenced to bound in…
The graphics processing unit (GPU) has emerged as a powerful and cost effective processor for general performance computing. GPUs are capable of an order of magnitude more floating-point operations per second as compared to modern central…
HPC and Cloud have evolved independently, specializing their innovations into performance or productivity. Acceleration as a Service (XaaS) is a recipe to empower both fields with a shared execution platform that provides transparent access…
Common approaches to control a data-center cooling system rely on approximated system/environment models that are built upon the knowledge of mechanical cooling and electrical and thermal management. These models are difficult to design and…
Research towards energy optimization in buildings heavily relies on building-related data such as measured indoor climate factors. While data collection is a labor- and cost-intensive task, simulations are a cheap alternative to generate…
Electrical power systems are increasing in size, complexity, as well as dynamics due to the growing integration of renewable energy resources, which have sporadic power generation. This necessitates the development of near real-time power…
Power-constrained HPC systems increasingly run heterogeneous CPU--GPU applications under strict cluster-wide power limits. Existing cluster-wide power management policies rely on fair-share or utilization heuristics and do not capture…
Cyber physical systems (CPS) are mission critical systems engineered by combination of cyber and physical systems respectively. These systems are tightly coupled, resource constrained systems and have dynamic real time applications. Due to…
Current cloud services are moving away from monolithic designs and towards graphs of many loosely-coupled, single-concerned microservices. Microservices have several advantages, including speeding up development and deployment, allowing…
In an aircraft electric power system (EPS), a supervisory control unit must actuate a set of switches to distribute power from generators to loads, while satisfying safety, reliability and real-time performance requirements. To reduce…
We introduce QuEST, the Quantum Exact Simulation Toolkit, and compare it to ProjectQ, qHipster and a recent distributed implementation of Quantum++. QuEST is the first open source, OpenMP and MPI hybridised, GPU accelerated simulator of…
Innovative solutions and developments are being inspected to tackle rising electrical power demand to be supplied by clean forms of energy. The integration of renewable energy generations, varying nature loads, importance of active role of…
Combined Transmission and Distribution Systems (CoTDS) simulation for power systems requires development of algorithms and software that are numerically stable and at the same time accurately simulate dynamic events that can occur in…
The study of strongly frustrated magnetic systems has drawn great attentions from both theoretical and experimental physics. Efficient simulations of these models are essential for understanding their exotic properties. Here we present…