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General atomic and molecular electronic structure system

Published: 01 November 1993 Publication History

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  • (2023)Asynchronous Multi-Level Checkpointing: An Enabler of Reproducibility using Checkpoint History AnalyticsProceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis10.1145/3624062.3624256(1748-1756)Online publication date: 12-Nov-2023
  • (2022)Modern Methods and Software Systems of Molecular Modeling and Application of Behavior AlgebraCybernetics and Systems Analysis10.1007/s10559-022-00482-x58:3(454-464)Online publication date: 1-May-2022
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  1. General atomic and molecular electronic structure system

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    cover image Journal of Computational Chemistry
    Journal of Computational Chemistry  Volume 14, Issue 11
    Nov. 1993
    156 pages
    ISSN:0192-8651
    Issue’s Table of Contents

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    John Wiley & Sons, Inc.

    United States

    Publication History

    Published: 01 November 1993

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    • (2024)cuSZp2: A GPU Lossy Compressor with Extreme Throughput and Optimized Compression RatioProceedings of the International Conference for High Performance Computing, Networking, Storage, and Analysis10.1109/SC41406.2024.00021(1-18)Online publication date: 17-Nov-2024
    • (2023)Asynchronous Multi-Level Checkpointing: An Enabler of Reproducibility using Checkpoint History AnalyticsProceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis10.1145/3624062.3624256(1748-1756)Online publication date: 12-Nov-2023
    • (2022)Modern Methods and Software Systems of Molecular Modeling and Application of Behavior AlgebraCybernetics and Systems Analysis10.1007/s10559-022-00482-x58:3(454-464)Online publication date: 1-May-2022
    • (2021)The interaction of nucleobases with an AlN nanotube for electronic DNA sequencingJournal of Computational Electronics10.1007/s10825-021-01682-y20:3(1096-1104)Online publication date: 1-Jun-2021
    • (2021)Investigation of the interaction of amphetamine drug with Zn12O12 nanocage: a quantum chemical studyJournal of Computational Electronics10.1007/s10825-021-01678-820:3(1065-1071)Online publication date: 1-Jun-2021
    • (2021)Computational study of a B36 borophene as an electronic sensor for the anti-cancer drug cisplatinumJournal of Computational Electronics10.1007/s10825-020-01614-220:1(635-642)Online publication date: 1-Feb-2021
    • (2020)Scaling the hartree-fock matrix build on summitProceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis10.5555/3433701.3433808(1-14)Online publication date: 9-Nov-2020
    • (2020)The static parallel distribution algorithms for hybrid density-functional calculations in HONPAS packageInternational Journal of High Performance Computing Applications10.1177/109434201984504634:2(159-168)Online publication date: 1-Mar-2020
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    • (2019)Comparing frequency scaling efficacy on different memory technologiesProceedings of the High Performance Computing Symposium10.5555/3338075.3338086(1-10)Online publication date: 29-Apr-2019
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