Jiamin, Hemanth, Shih-Han, and Dr. Xin presented at the CMU-Georgia Tech Symposium on Machine Learning in Science and Engineering. Jiamin received the NSF travel award.
Dr. Xin received the 2018 Dean's Award for Outstanding New Assistant Professor in recognition of extraordinary performance.
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.