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Publications at NCSU with current students
Engineering Paramagnetic Spin Centers in Metal-Free Organic Frameworks, ChemRxiv, Link)
Amiya Paul, Mohammed Zahid Malik, and Raja Ghosh
Engineering Paramagnetic Spin Centers in Metal-Free Organic Frameworks, ChemRxiv, Link)
Amiya Paul, Mohammed Zahid Malik, and Raja Ghosh
Amiya led a project that combined analysis from modified Hubbard-style Hamiltonian with Monte Carlo simulations to understand how various quantum mechanical and structural factors govern spin density in purely organic 1D and 2D pi-conjugated systems.
Defect-Driven Polaron Localization in π-Conjugated Systems: The Role of Spatial Correlation and Coulomb Binding, Journal of Chemical Theory and Computation, 2025, Link)
Abhradeep Sarkar, Amiya Paul, and Raja Ghosh
Defect-Driven Polaron Localization in π-Conjugated Systems: The Role of Spatial Correlation and Coulomb Binding, Journal of Chemical Theory and Computation, 2025, Link)
Abhradeep Sarkar, Amiya Paul, and Raja Ghosh
Abhradeep demonstrated how the competition between Coulomb binding and spatially correlated or uncorrelated static defect types influences polaron coherence in 1D and 2D organic systems such as semiconducting polymers and covalent organic frameworks, in good agreement with polarized measurements of doped P3HT films.
AI-guided high-throughput investigation of conjugated polymer doping reveals importance of local polymer order and dopant-polymer separation, Matter, 2025, Link )
Jacob P. Mauthe, Ankush Kumar Mishra, Abhradeep Sarkar, Boyu Guo, Gaurab J. Thapa, Joseph Schroedl, Nicholas Luke, Justin S. Neu, Sung-Joo Kwon, Mihirsinh Chauhan, Tongui Wang, Tajah Trapier, Harald Ade, David Ginger, Wei You, Raja Ghosh, Baskar Ganapathysubramanian, Aram Amassian
AI-guided high-throughput investigation of conjugated polymer doping reveals importance of local polymer order and dopant-polymer separation, Matter, 2025, Link )
Jacob P. Mauthe, Ankush Kumar Mishra, Abhradeep Sarkar, Boyu Guo, Gaurab J. Thapa, Joseph Schroedl, Nicholas Luke, Justin S. Neu, Sung-Joo Kwon, Mihirsinh Chauhan, Tongui Wang, Tajah Trapier, Harald Ade, David Ginger, Wei You, Raja Ghosh, Baskar Ganapathysubramanian, Aram Amassian
In this project, Abhradeep combined insights from the Holstein Hamiltonian for polarons with data-driven experiments to understand how the distribution and location of counterions impact polaron coherence and conductivity in chemically doped conjugated polymer films.
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