Himaghna Bhattacharjee

Li, Q. ., Wittreich, G. ., Wang, Y. ., Bhattacharjee, H. ., Gupta, U. ., & Vlachos, D. . G. (2021). Accurate Thermochemistry of Complex Lignin Structures via Density Functional Theory, Group Additivity, and Machine Learning. ACS Sustainable Chemistry & Engineering, 9, 3043-3049. https://doi.org/10.1021/acssuschemeng.0c08856 (Original work published 2025)

Bhattacharjee, H. ., Anesiadis, N. ., & Vlachos, D. . G. (2021). Regularized Machine Learning on Molecular Graph Model Explains Systematic Error in DFT Enthalpies. Scientific Reports 2021 11:1, 11, 1-10. https://doi.org/10.1038/s41598-021-93854-w (Original work published 2025)

Bhattacharjee, H. ., & Vlachos, D. . G. (2020). Thermochemical data fusion using graph representation learning. Journal of Chemical Information and Modeling, 60, 4673-4683. https://doi.org/10.1021/acs.jcim.0c00699 (Original work published 2025)

Bhattacharjee, H. ., Burns, J. ., & Vlachos, D. . G. (2023). AIMSim: An accessible cheminformatics platform for similarity operations on chemicals datasets. Computer Physics Communications, 283, 108579. https://doi.org/https://doi.org/10.1016/j.cpc.2022.108579 (Original work published 2025)