Scalable GW software for quasiparticle properties using OpenAtom

  title={Scalable GW software for quasiparticle properties using OpenAtom},
  author={Minjung Kim and Subhasis Mandal and Eric Mikida and Kavitha Chandrasekar and Eric J. Bohm and Nikhil Jain and Qi Li and Raghavendra Kanakagiri and Glenn J. Martyna and Laxmikant V. Kal{\'e} and Sohrab Ismail-Beigi},
  journal={Comput. Phys. Commun.},
The GW method, which can describe accurately electronic excitations, is one of the most widely used ab initio electronic structure technique and allows the physics of both molecular and condensed phase materials to be studied. However, the applications of the GW method to large systems require supercomputers and highly parallelized software to overcome the high computational complexity of the method scaling as $O(N^4)$. Here, we develop efficient massively-parallel GW software for the plane… Expand
3 Citations
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  • Materials Science, Physics
  • Journal of chemical theory and computation
  • 2015
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