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.
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.
Welcome Prof. Suljo Linic from University Michigan visiting Virginia Tech for Bill and Ann Doumas distinguished lecture.
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.
Hongliang, Zheng, Jiamin, Siwen, and Noushin have attended and presented their work at AIChE, Minneapolis, MN.
Dr. Xin is elected as the secretary of the Southeastern Catalysis Society at the 2017 Symposium held at Asheville, NC.
Zheng, Jiamin, Siwen, Liang presented their work at SECS symposium. Noushin and Emily attended and hopefully enjoyed their first catalysis conference.
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.