Jun 15, 2016 · This paper showcases the diverse functionalities as well as scalability of OpenAtom via performance case studies, with focus on the recent additions and ...
Dynamics with Diverse Capabilities. Nikhil Jain†, Eric Bohm†, Eric Mikida ... In this paper, we have presented the capabilities and scalability of OpenAtom.
This paper showcases the diverse functionalities as well as scalability of OpenAtom via performance case studies, with focus on the recent additions and ...
This paper showcases the diverse functionalities as well as scalability of OpenAtom via performance case studies, with focus on the recent additions and ...
At the same time, it supports several interesting ab-initio molecular dynamics simulation methods including the Car-Parrinello method, Born-Oppenheimer method, ...
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We are parallelizing CPAIMD using Charm++. The computation is modeled using a large number of virtual processors, which are mapped flexibly to available ...
OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capabilities. Nikhil Jain, Eric J. Bohm, Eric Mikida, Subhasish Mandal, Minjung Kim, Prateek ...
Bibliographic details on OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capabilities.
OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capabilities-book.
Openatom: Scalable ab-initio molecular dynamics with diverse capabilities. International Conference on High Performance Computing, Springer (2016), pp. 139 ...