MolSSI Workshop on HPC in Computational Chemistry and Materials Science

This fully virtual workshop will focus on parallel programming models and algorithms used in or beneficial to our community, as well as recent success stories in codes and methods development for advanced simulations in our field. One key objective of the workshop is to improve and develop the skill-sets of the next-generation of computational chemistry and materials science researchers to make use of the exciting technologies that are now available to us.

Organizers: Alvaro Vazquez Mayagoitia (Argonne National laboratory), Volker Blum (Duke University), Bert de Jong (Lawrence Livermore National Laboratory), Yasaman Ghadar (Argonne National laboratory), Dmitry Liakh (Oak Ridge National laboratory).


Dates:  December 13-15, 2021.

Confirmed speakers (to date):

  • Eric Bylaska, Pacific Northwestern National Laboratory
  • Jeongnim Kim, Intel Labs
  • Luigi Genovese, INAC CEA L_Sim
  • Xavier Andrade, Lawrence Livermore National Laboratory
  • Theresa Windus, Iowa State University and the Ames Laboratory
  • Victor Yu, Argonne National Laboratory/University of Chicago
  • Abhishek Bagusetty, Argonne National laboratory
  • Lin Lin, University of California Berkeley
  • Paul Kent, Oak Ridge National Laboratory
  • Edmond Chow, Georgia Institute of Technology
  • William Dawson, RIKEN Center for Computational Science
  • Aurora Clark, Washington State University
  • Lori Burns, Georgia Institute of Technology
  • Ye Luo, Argonne National Laboratory
  • Edward Hohenstein, SLAC National Accelerator Laboratory
  • Jack Deslippe, Lawrence Livermore National Laboratory
  • Anton Kozhevnikov, CSCS – Swiss National Supercomputing Centre
  • Edward Valeev, Virginia Tech

Note that the organizers have created an additional website where they will provide links and other resources as they become available.

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