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【大学频道】中国科学院大学卡弗里理论科学研究所呈献 | J. Bernholc of NC State University

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图 | Jerry Bernholc

题   目:Towards Exascale Electronic Structure and Quantum Transport Calculations

报告人:Jerry Bernholc

单   位:NC State University

时   间:2019-05-30

地   点:中国科学院大学

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报告提纲

  • RMG pre-exascale code for very large electronic structure and quantum transport calculations with full DFT accuracy wwww. rmgdift. org 

    ▷Scales well on CPU-GPU (pre)-exascale architectures, works efficiently on desktops and clusters.

    ▷New eigensolver for electronic structure calculations.

    ▷Multi-terminal capability enables full-device simulations

    ▷Can handle -50k atoms

  • Nanotube-based DNA polymerase nano circuits: potential for all electrical DNA sequencing

  • Designed a novel class of nanoscale devices with negative differential resistance (NDR)

    ▷Tunneling at nanoscale is a major issue: requires unconventional device design

    ▷Novel, experimentally-realizable, atomically-precise NDR structures have been designed and fabricated

    ▷The multi-segment design may apply to other materials, such as MoS2, and WS2


个人简介

Professor Bernholc received his PhD in 1977 from the University of Lund, Sweden, after spending parts of 1975 and 1976 at the IBM T. J. Watson Research Center in New York. He was a Postdoctoral Fellow at the IBM Watson Center 1978-80 and a Senior Physicist at Corporate Research Laboratories of Exxon Research and Engineering Company 1980-86. Bernholc joined NC State University in 1986 as an Associate Professor, became Full Professor in 1990 and Drexel Professor in 2000. In 2004, he formed the Center for High Performance Simulation (ChiPS) at NCSU, of which he is the first Director. Since 2002, he also serves as a Visiting Distinguished Scientist at Oak Ridge National Laboratories.Prof. Bernholc is working in several subfields of theoretical condensed matter and materials physics.


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【大学频道】中国科学院大学卡弗里理论科学研究所呈献 | Patrick Rinke:GW and beyond: core excitations, strong correlation and artificial intelligence

【大学频道】中国科学院大学卡弗里理论科学研究所呈献 | 杜克大学杨伟涛教授:Analysis and Elimination of the Delocalization and Static/Strong Correlation Error in Density Functional Approximations

【大学频道】中国科学院大学卡弗里理论科学研究所呈献 | Myrta Gruning:Nonlinear optics from first-principles real-time approaches

【大学频道】中国科学院大学卡弗里理论科学研究所呈献 | 美国科学院院士Steven G. Louie:Many-electron Correlations in Multi-particle Excitations and Nonlinear Optical Processes in Materials


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