| 8:26:26 AM PST - Fri, Dec 21st 2018 |
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Isn't it delightful to know that a consortium of computational chemists, computer scientists and applied mathematicians from six US DOE's national laboratories now are working on and will continue to devote to the development of exascale-enabled applications of NWCHEM to enhance its scalability, performance, extensibility and portability, so that problems which cannot be treated by current molecular simulation packages and existing computer systems will be accounted for such as those that gurantee U.S. energy security and cut down the global warming from US?
GAMESS is also being and will be kept on being added Chemistry & Materials Exascale Computing power, e.g., the integration of quantum Monte Carlo into the present miscellaneous combinations of quantum chemical methods and worthy of endorsement fragmentation methodologies supassing the petascale, up to 260,000cores, from Prof. Gordon's Group and Ames Laboratory.
Ms. Prof. Windus at both Ames Laboratory and Iowa State University was invited to speak at SC17 in the end of 2017: Taking the Nanoscale to the Exascale. For “leadership in the development of advanced high-performance computing algorithms, and for development of a broad understanding of the chemistry of heavy elements”, she was named to the 2017 class of association fellows by ASSS.
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