Latest News

In a recent publication, we proposed a new model to unravel reactivity trends of Au nanoparticles. Read press release at VT News and Phys.org.

Congratulations to Siwen Wang for receiving the Kokes Travel Award to present her work at the NAM25 in Jun. 2017.

Zheng Li, Jiamin Wang, and Siwen Wang presented their research at the AIChE San Francisco, 2016.

Esther Robb from Computer Engineering joined the group as an undergraduate researcher for mobile interface development. The aim of project is to leverage the existing materials databases and machine-learning algorithms for accelerating materials discovery and outreach/education.

Dr. Xin gave the Engineering Research Seminar to first-year engineering students on materials discovery through computation. This event was organized by the Center for the Enhancement of Engineering Diversity (CEED).

We have an opening for a post-doctoral associate position on computational catalysis . The post-doctoral associate will use density functional theory calculations to investigate the activation of small alkane molecules on single site catalysts including metal-organic frameworks and supported single-atom catalysts. Please visit http://www.jobs.vt.edu/ for job posting SR0160153.

Dr. Xin participated the inVenTs Slush Rush activity organized by CEED to discuss teach, research, faculty life. The activity is simply meant to be an opportunity for the students to get to know faculty on a personal level and practice some much needed networking skills.

Congratulations to Zheng Li for receiving the second place for student talk competition in SECS 2016 annual symposium. Zheng presented his work on machine learning for electrocatalyst discovery.