The IRMA Community
Newsletters
Research IRM
Click a keyword to search titles using our InfoSci-OnDemand powered search:
|
Parallel Quantum Chemistry at the Crossroads
Abstract
Quantum chemistry was a compute intensive field from the beginning. It was also an early adopter of parallel computing, and hence, has more than twenty years of experience with parallelism. However, recently parallel computing has seen dramatic changes, such as the rise of multi-core architectures, hybrid computing, and the prospect of exa-scale machines requiring 1 billion concurrent threads. It is doubtful that current approaches can address the challenges ahead. As a result, the field finds itself at a crossroads, facing the challenge to successfully identify the way forward. This chapter tells a story in two parts. First, the achievements to date are considered, offering insights learned so far. Second, we look at paradigms based on directed acyclic graphs (DAG). The computer science community is strongly advocating this paradigm, but the quantum chemistry community has no experience with this approach. Therefore recent developments in that area will be discussed and their suitability for future parallel quantum chemistry computing demands considered.
Related Content
|
Wassim Jaber.
© 2024.
24 pages.
|
|
Hussein A.H. Jaber, Zahraa Saleh, Wassim Jaber, Adnan Badran, Hatem Nasser.
© 2024.
17 pages.
|
|
Sakshi Garg, Kunal Arora, Sumita Singh, K. Nagarajan.
© 2024.
20 pages.
|
|
Wassim Jaber.
© 2024.
14 pages.
|
|
Ray Gutierrez Jr..
© 2024.
22 pages.
|
|
Wassim Jaber, Hussein A.H. Jaber, Ramzi Jaber, Zahraa Saleh.
© 2024.
16 pages.
|
|
Zahraa Saleh, Wassim Jaber, Ali Jaber, Edmond Cheble, Mikhael Bechelany, Akram Hijazi, David Cornu, Ghassan Mahmoud Ibrahim.
© 2024.
22 pages.
|
|
|