Ming-Kang Tsai

Bridging the Computational-Experimental Domain Gap: An Autoencoder-Based Machine Learning Workflow for Raman Spectra Characterization of Amino Acid Mixtures.

Raman spectroscopy offers rapid, nondestructive molecular characterization, but machine-learning analysis of experimental Raman spectra is often limited by the cost and difficulty of constructing sufficiently large, reproducible experimental data sets. Theoretical spectra generated by density functional theory provide...