News


March 9, 2018

Molecular engineering scales up to lab-wide research enterprise. The full story appeared in Argonne Today.


March 7, 2018

APS March Meeting 2018, Los Angeles, CA.
Contributed talk on reproducibility in Science! The open-source suite Qresp is expected to increase experimental and computational rigor in reporting results, together with transparency and to greatly facilitate paper reproducibility.


March 5, 2018

APS March Meeting 2018, Los Angeles, CA.
Invited talk on a wide range of method developments in electronic structure! Opening the session: Petascale Science and Beyond: Applications and Opportunities for Materials, Chemical, and Bio-Physics III.


February 28, 2018
APS March Meeting 2018, March 5–9, 2018, Los Angeles, CA.
List of talks:

  • A29.00004 A Finite Field Algorithm for GW Calculations Beyond the Random Phase Approximation
  • A29.00007 Large Scale Bethe-Salpeter Equation Calculations
  • A29.00013 Approximate spectral decomposition of density-density response functions
  • C34.00001 Large-scale first principles calculations with leadership class HPC using many-body perturbation theory
  • E29.00010 Electron Affinity of Liquid Water
  • L52.00014 Multipole interactions in the molecular polarizabilities of water from ambient to high pressures
  • P12.00010 Raising the bar for accessibility and sustainability of data published in scientific papers
  • V21.00009 Designing defect-based qubit candidates in wide-gap binary semiconductors
  • Y17.00014 Dielectric properties of interfaces