We received 4 million service unit allocation for 2018 on the Cori supercomputer at the Department of Energy National Energy Research Supercomputing Center (NERSC). This is a boost for our high throughput calculation and NERSC also supports our workflow, machine learning, and database tasks. This is roughly equivalent to about... [Read More]
Setting up the lab at PSC
We visited the Pittsburgh Supercomputing Center (PSC) co-location facility to do some hands-on maintenance with our machines hosted there. Luckily, this was the most labor intensive part of starting the group and building the ‘lab’! We share about 100 high performance CPU and GPU-accelerated nodes with other groups in the... [Read More]
F17 Group dinner
Welcome to new MS students Wen Zhong and Zong Qian Yu!
Wen and Zong Qian will be completing research projects from January through the end of next year. Zong Qian will be working on predictive methods for materials discovery, and Wen will be working on predictive and high-throughput methods for patterned surfaces!
ML for energy materials discovery commentary published in Nature!
A commentary that was written from the proceedings of a workshop we attended in May 2017 was published in Nature, with Zachary Ulissi as a co-signatory. See the article for a high-level description of challenges in applying predictive methods to the discovery of new energy materials: Use machine learning to... [Read More]
Welcome to new PhD students Jun and Pari!
Pari Palizhati and Junwoong Yoon joined the group in November 2017. Welcome!
Kevin passes his quals!
The group’s first PhD student, Kevin Tran, passed his quals with a presentation on his first project “Automated materials simulation: DFT-calculated adsorption energies”. [Read More]
Publication in ACS Catalysis!
Publication in Nature Communications!
We have positions at the undergrad (CMU-preferred), grad, and post-doc level. If you’re excited about this work, get in touch by email with your background, CV, and what interests you.
Ulissi Group welcomes the first student!
Kevin Tran joined in December 2016, and will be working on systems engineering approaches applied to materials discovery. Welcome to the group!