Yang, Tzuhsiung

A quantitative uncertainty metric controls error in neural network-driven chemical discovery

Janet, J. P., Duan, C., Yang, T., Nandy, A., & Kulik, H. J. (2019) · Chemical Science

Machine Learning in Materials ScienceComputational Drug Discovery Methods

Cited by 243

Designing in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry

Janet, J. P., Liu, F., Nandy, A., Duan, C., Yang, T., Lin, S., & Kulik, H. J. (2019) · Inorganic Chemistry

Machine Learning in Materials ScienceAdvanced Chemical Physics Studies

Cited by 114

Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

Taylor, M. G., Yang, T., Lin, S., Nandy, A., Janet, J. P., Duan, C., & Kulik, H. J. (2020) · The Journal of Physical Chemistry A

Magnetism in coordination complexesMachine Learning in Materials Science

Cited by 81