Staff information
Carter Knutson
Comp & Data Eng. Team 3
Data Scientist
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PNNL Publications
2024
- McNaughton A.D., G. Sankar Ramalaxmi, A. Kruel, C.R. Knutson, R.A. Varikoti, and N. Kumar. 2024. "CACTUS: Chemistry Agent Connecting Tool Usage to Science." ACS Omega 9, no. 46:46563-46573. PNNL-SA-197968. doi:10.1021/acsomega.4c08408
2023
- McNaughton A.D., R. Joshi, C.R. Knutson, F. Anubhav, K.J. Luebke, J.P. Malerich, and P. Madrid, et al. 2023. "Machine Learning Models for Predicting Molecular UV-Vis Spectra with Quantum Mechanical Properties." Journal of Chemical Information and Modeling 63, no. 5:1401-1648. PNNL-SA-171633. doi:10.1021/acs.jcim.2c01662
2022
- Knutson C.R., M.S. Bontha, J.A. Bilbrey, and N. Kumar. 2022. "Decoding the Protein-ligand Interactions Using Parallel Graph Neural Networks." Scientific Reports 12. PNNL-SA-166075. doi:10.1038/s41598-022-10418-2