Related papers: Computational Science and Innovation
More than a speculative technology, quantum computing seems to challenge our most basic intuitions about how the physical world should behave. In this thesis I show that, while some intuitions from classical computer science must be…
The computational treatment of many-electron systems capable of exchanging {electrons and nuclei} with the environment represents one of the outermost frontiers in simulation methodology. The exchanging process occurs in a large variety of…
The massive trend of integrating data-driven AI capabilities into traditional software systems is rising new intriguing challenges. One of such challenges is achieving a smooth transition from the explorative phase of Machine Learning…
Climate change is an existential threat to the United States and the world. Inevitably, computing will play a key role in mitigation, adaptation, and resilience in response to this threat. The needs span all areas of computing, from devices…
Computational models are increasingly used in high-impact decision making in science, engineering, and medicine. The National Aeronautics and Space Administration (NASA) uses computational models to perform complex experiments that are…
Computational Science on large high performance computing resources is hampered by the complexity of these systems. Much of this complexity is due to low-level details on these resources that are exposed to the application and the end user.…
High-Performance Computing (HPC) has recently entered the Exascale era, and considerable efforts are being made to fully harness this potential power for large-scale applications, such as cutting-edge generative AI (training and…
Computational thinking is a new problem soling method named for its extensive use of computer science techniques. It synthesizes critical thinking and existing knowledge and applies them in solving complex technological problems. The term…
Quantum computing (QC) is no longer only a scientific interest but is rapidly becoming an industrially available technology that can potentially tackle the limitations of classical computing. Over the last few years, major technology giants…
Challenging problems of modern engineering education and a role of information technology are reviewed. An importance of simulation of real world physical problems in both graduate and lifelong/corporate education is discussed. It is…
Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to…
The HL-LHC and the corresponding detector upgrades for the CMS experiment will present extreme challenges for the full simulation. In particular, increased precision in models of physics processes may be required for accurate reproduction…
In the rapidly evolving field of computer science education, novel approaches to teaching fundamental concepts are crucial for engaging a diverse student body. Given the growing demand for a computing-skilled workforce, it is essential to…
Computer experiments with both qualitative and quantitative factors are widely used in many applications. Motivated by the emerging need of optimal configuration in the high-performance computing (HPC) system, this work proposes a…
High Performance Computing (HPC) based simulations are crucial in Astrophysics and Cosmology (A&C), helping scientists investigate and understand complex astrophysical phenomena. Taking advantage of exascale computing capabilities is…
Complex systems throughout Nature display structures and functions that are built and maintained, at least in part, by optimal energies flowing through them--not specific, ideal values, rather ranges in energy rate density below which…
Machine learning is a computational process. To that end, it is inextricably tied to computational power - the tangible material of chips and semiconductors that the algorithms of machine intelligence operate on. Most obviously,…
While past information technology (IT) advances have transformed society, future advances hold even greater promise. For example, we have only just begun to reap the changes from artificial intelligence (AI), especially machine learning…
This report is a digest of the DOE/NSF Workshop on Correctness in Scientific Computing (CSC'23) held on June 17, 2023, as part of the Federated Computing Research Conference (FCRC) 2023. CSC was conceived by DOE and NSF to address the…
Quantum materials exhibit a wide array of exotic phenomena and practically useful properties. A better understanding of these materials can provide deeper insights into fundamental physics in the quantum realm as well as advance technology…