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OpenAtom

Known as: LeanCP 
OpenAtom is a massively parallel quantum chemistry application written in Charm++ for simulations on supercomputers. Its developmental version was… 
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Related topics

Related topics

4 relations
Cray XT3List of quantum chemistry and solid-state physics softwareNanoscale Molecular DynamicsQuantum mechanics

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2017
2017
Large scale ab initio molecular dynamics using the OpenAtom software
2017
2017
Parallel performance for large scale GW calculation using the OpenAtom software
2017
2017
Implementation of highly parallel and large scale GW calculations within the OpenAtom software
2015
2015
Parallel Implementation Details of OpenAtom
  • 2015
  • Corpus ID: 14398542
An accurate understanding of phenomena occurring at the quantum scale can be achieved by considering a model representing the… 
2009
2009
A Case Study of Communication Optimizations on 3D Mesh Interconnects
Optimal network performance is critical to efficient parallel scaling for communication-bound applications on large machines… 
2009
2009
CkDirect: Unsynchronized One-Sided Communication in a Message-Driven Paradigm
A significant fraction of parallel scientific codes are iterative with barriers between iterations or even between phases of the… 
2009
2009
Topology aware task mapping techniques: an api and case study
Optimal network performance is critical to efficient parallel scaling for communication-bound applications on large machines… 
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