Bhattacharjee, S.; Gordiy, I.; Sirohiwal, A.; Pantazis, D. A. Microscopic Basis of Reaction Center Modulation in PsbA Variants of Photosystem II. Proceedings of the National Academy of Sciences of the United States of America 2025, 122, e2417963122.

Šrut, A.; Bhattacharjee, S.; Pantazis, D. A.; Krewald, V. Analyzing Spectral Distributions of Charge Transfer Character in Ensembles: a Case Study on the Reaction Center of Photosystem II. Physical Chemistry Chemical Physics 2025, 27, 8327–8334.

Drosou, M.; Bhattacharjee, S.; Pantazis, D. A. Combined Multireference–Multiscale Approach to the Description of Photosynthetic Reaction Centers. Journal of Chemical Theory and Computation 2024, 20, 7210–7226.

Bhattacharjee, S.; Arra, S.; Daidone, I.; Pantazis, D. A. Excitation Landscape of the CP43 Photosynthetic Antenna Complex from Multiscale Simulations. Chemical Science 2024, 15, 7269–7284.

Ansari, M.; Bhattacharjee, S.; Pantazis, D. A. Correlating Structure with Spectroscopy in Ascorbate Peroxidase Compound II. Journal of the American Chemical Society 2024, 146, 9640–9656.

Bhattacharjee, S.; Neese, F.; Pantazis, D. A. Triplet States in the Reaction Center of Photosystem II. Chemical Science 2023, 14, 9503–9516.

Bhattacharjee, S.; Isegawa, M.; Garcia-Ratés, M.; Neese, F.; Pantazis, D. A. Ionization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster Approaches. Journal of Chemical Theory and Computation 2022, 18, 1619–1632.

Bhattacharjee, S. Multiscale Simulations of Excited States and Redox Properties of Biomolecular Systems. PhD Thesis, Universität Duisburg-Essen, Duisburg-Essen, 2024.