Summer 2018

Our project “Many-Body Perturbation Theory Meets Machine Learning to Discover Singlet Fission Materials” was selected for the Aurora Early Science Program (ESP) in the Data and Learning category.

Congratulations to Alfred Liu on receiving the MSE MS Research Excellence Award for his research achievements as a masters student!

Noa was selected for the IUPAP Young Scientist Prize in Computational Physics, which she will receive at the XXX IUPAP Conference on Computational Physics (CCP 2018)

An article about our work “Speeding Up Discoveries of Organic and Organic-Inorganic Materials by Electronic Structure Theory” appeared on

Noa will be the guest speaker at a “Science on Tap” event on June 21. Sign up to hear about the work and life of a scientist while enjoying adult beverages.

Congratulations to Manny Bier on receiving the NSF Graduate Research Fellowship!

Welcome new undergraduate assistant Anna Park!

Noa is co-organizing the UCLA Institute for Pure and Applied Mathematics (IPAM) workshop “Quantum Computing Materials Challenges” (QCM):

Materials that behave as quantum bits (qubits) will be the quantum chips that underlie a future quantum economy. Currently, a variety of materials have been proposed as qubit materials ranging from topological phases of matter to nitrogen-vacancy centers in diamond. Advancing the understanding and prediction of qubit materials is essential to the second quantum revolution centering on quantum computing. This three-day workshop will explore the mathematical modeling of materials for quantum computing by bringing together people from the materials modeling and simulation and quantum computing communities. The goal is to identify the grand challenges and propose possible solutions in the modeling and simulation of qubit materials and quantum devices for the engineering of a large-scale useful quantum computer. The meeting will bring together mathematicians and scientists working on a wide spectrum of topics related to materials modeling and simulation of qubit materials. Speakers will present the fundamental concepts underlying the particular mathematical/scientific focus of the talk to stimulate active discussion and possible collaboration.

Registration is open until Tuesday, July 3, 2018!

We thank AFOSR for funding the seed project “Screening Polycyclic Aromatic Hydrocarbons for Singlet Fission Candidates”

We thank ARO for funding the project “Structure Prediction and Design of Molecular Interfaces from First Principles”

Congratulations to Tim Rose on being selected for the Argonne Training Program on Extreme-Scale Computing (ATPESC)!

We thank Carnegie Mellon University’s Wilton E. Scott Institute for Energy Innovation for the Seed Grant “Data Driven Discovery of Singlet Fission Materials”

We thank NERSC for granting us a High-Impact Science at Scale on Cori KNL award of 50 million CPU hours for the project “Data driven discovery of singlet fission materials”

This Summer catch Noa at: