Computational Materials Science

Dates: February 2 – 3, 2017 

Organizers: Teresa Head-Gordon (U.C. Berkeley and MolSSI), Steve Louie (U.C. Berkeley), and Jeff Neaton (U.C. Berkeley)

Workshop

The goal of this workshop was to bring together developers and domain scientists in computational materials science to discuss the “state of the art” in software efforts around four topics:

  1. Methods for Calculating Advanced Properties;
  2. Big Data in Materials;
  3. Advanced Methods and their Translation to Software;
  4. Density Functional Theory Software.

A report on the workshops outcomes is here.

Participants

  • G. Galli (U. Chicago)
  • S. Refaely-Abramson (U.C. Berkeley)
  • Dominika Zgid (U. Michigan)
  • F. da Jornada (U.C. berkeley)
  • E. Kaxiras (Harvard U.)
  • E. Rabani (U.C. Berkeley/Tel Aviv)
  • S. Ismai-Beigi (Yale U.)
  • J. Chelikowsky (U.Texas)
  • J. Deslippe (NERSC)
  • L. Lin (U.C. Berkeley)
  • J. Bernholc (NCSU)
  • R. Car (Princeton)
  • A. Jain (LBNL)
  • M. Scheffler (MP-Berlin)
  • D. Prendergast (LBNL)
  • V. Vaissier (U.C. Berkeley)
  • L.-W. Wang (LBNL)
  • K. Persson (U.C. Berkeley)
  • F. Gygi (U.C. Davis)
  • C. Skylaris (U. Southampton)
  • E. Artacho (Cambridge U.)
  • A. Niklasson (LANL)
  • R. Distasio (Cornell U.)
  • T.D. Crawford (Virginia Tech & MolSSI)
  • N. Marzari (EPFL)
  • S. Jha (Rutger U. & MolSSI)