Latest News

Apr
24
2018

Congrats to Zheng, Noushin, Wei Shan, and Ester for the paper on machine learning published in J. Phys. Chem. A. In this work, machine-learning algorithms equipped with the domain knowledge of chemical graph theory were employed for predicting the energy gaps of >12 000 porphyrins from the Computational Materials Repository.

Feb
01
2018

Congrats to Siwen, Noushin, and Emily for the paper in Phys. Chem. Chem. Phys., Communications. We applied the orbitalwise coordination number concept for understanding size effects in Au-catalyzed CO oxidation.

Nov
30
2017

Welcome Prof. Suljo Linic from University Michigan visiting Virginia Tech for Bill and Ann Doumas distinguished lecture.

Nov
27
2017

Congrats to Zheng, Siwen, and Wei Shan for the paper as back cover of J. Mater. Chem. A., emerging investigators 2017 issue. We outlined details of machine learning models for alloy electrocatalyst design. 

Nov
03
2017

Hongliang, Zheng, Jiamin, Siwen, and Noushin have attended and presented their work at AIChE, Minneapolis, MN.

Sep
25
2017

Dr. Xin is elected as the secretary of the Southeastern Catalysis Society at the 2017 Symposium held at Asheville, NC.

Sep
25
2017

Zheng, Jiamin, Siwen, Liang presented their work at SECS symposium. Noushin and Emily attended and hopefully enjoyed their first catalysis conference.

Aug
25
2017

Congratulations to Noushin Omidvar for successfully passing the doctoral qualifying exam and ascending to PhD candidacy! She is working on modeling electrode-electrolyte interfaces in Li-ion batteries.

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