Publications

1. Díaz Mirón, G.; Lien-Medrano, C. R.; Banerjee, D.; Monti, M.; Aradi, B.; Sentef, M. A.; Niehaus, T. A.; Hassanali, A. Non-Adiabatic Couplings in Surface Hopping with Tight Binding Density Functional Theory: The Case of Molecular Motors. J. Chem. Theory Comput. 2024. https://doi.org/10.1021/acs.jctc.4c01263.
2. Banerjee, D.; Azizi, K.; Egan, C. K.; Donkor, E. D.; Malosso, C.; Pino, S. D.; Mirón, G. D.; Stella, M.; Sormani, G.; Hozana, G. N.; Monti, M.; Morzan, U. N.; Rodriguez, A.; Cassone, G.; Jelic, A.; Scherlis, D.; Hassanali, A. Aqueous Solution Chemistry in Silico and the Role of Data-Driven Approaches. Chemical Physics Reviews 2024, 5 (2), 021308. https://doi.org/10.1063/5.0207567.
3. Díaz Mirón, G.; Lien-Medrano, C. R.; Banerjee, D.; Morzan, U. N.; Sentef, M. A.; Gebauer, R.; Hassanali, A. Exploring the Mechanisms behind Non-Aromatic Fluorescence with the Density Functional Tight Binding Method. J. Chem. Theory Comput. 2024. https://doi.org/10.1021/acs.jctc.4c00125.
4. Banerjee, D. Development of a Computational Toolbox to Analyse First-Passage Times and Diffusion Coefficients in Heterogeneous Soft-Matter System. Masters Thesis, SISSA, 2022. https://hdl.handle.net/20.500.11767/130791.
5. Sarkar, P.; Banerjee, D.; Paul, S.; Ray, D. S. Method for Direct Analytic Solution of the Nonlinear Langevin Equation Using Multiple Timescale Analysis: Mean-Square Displacement. Phys Rev E 2022, 106 (2–1), 024203. https://doi.org/10.1103/PhysRevE.106.024203.