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| Choudhury A, Ghosh D. (2025) Machine learning modeling of electronic spectra and thermodynamic stability for a comprehensive chemical space of melanin. Chemical Science |
| Choudhury A, Ghosh D. (2025) Elucidating the Structure of Melanin and Its Structure-Property Correlation. Accounts of Chemical Research |
| Choudhury A, Ghosh D. (2025) Hybrid Unsupervised/Supervised Machine Learning for Identifying Molecular Structural Fingerprints From Ensemble Property. Journal of Computational Chemistry. 46: e70038 |
| Choudhury A, Santra S, Ghosh D. (2024) Understanding the Photoprocesses in Biological Systems: Need for Accurate Multireference Treatment. Journal of Chemical Theory and Computation. 20: 4951-4964 |
| Choudhury A, Ramakrishnan R, Ghosh D. (2024) Structure prediction from spectra amidst dynamical heterogeneity in melanin. Chemical Communications (Cambridge, England) |
| Choudhury A, Ghosh D. (2020) Charge transfer in DHICA eumelanin-like oligomers: role of hydrogen bonds. Chemical Communications (Cambridge, England) |
| Dey M, Mudoi PP, Choudhury A, et al. (2019) Deciphering the influence of structural distortions on the uniaxial magnetic anisotropy of pentagonal bipyramidal Ni(ii) complexes. Chemical Communications (Cambridge, England) |