I am Anirban Sadhu, a researcher with a strong background in theoretical and computational chemistry, currently focused on understanding excited-state dynamics and photoinduced processes in molecular and materials systems. My academic journey has been driven by a deep curiosity about how electronic and nuclear motion evolve following light–matter interaction, and how these ultrafast processes can be harnessed for energy-relevant applications.
My primary research interests lie at the intersection of quantum dynamics, non-adiabatic excited-state processes, and photoactive materials. I am particularly interested in unraveling the microscopic mechanisms of photoinduced charge transfer and energy relaxation in donor–acceptor systems. During my Master’s research, I have worked on systems such as porphyrin–NTCDA assemblies and oligothiophene-C₆₀ complexes, where understanding the interplay between electronic coupling, nuclear motion, and environmental effects is essential for controlling functionality.
From a methodological perspective, I am deeply motivated by the challenge of accurately simulating quantum dynamics in complex molecular systems. I have been actively studying and applying advanced techniques such as Multi-Configurational Time-Dependent Hartree (MCTDH), surface hopping, and other non-adiabatic dynamics approaches, with an emphasis on building a rigorous theoretical foundation rather than treating these methods as black boxes. I am particularly interested in bridging the gap between electronic structure theory and quantum dynamics, a central challenge in modern theoretical chemistry.
My current and past work has involved replicating and critically analyzing state-of-the-art literature on excited-state dynamics, with the goal of developing the technical expertise required for independent, publishable research. Through these projects, I have gained hands-on experience with computationally intensive simulations, learned to troubleshoot methodological limitations, and developed a strong appreciation for reproducibility and physical interpretation of results.
Looking ahead, I aspire to pursue a PhD in Chemistry, where I can further develop quantum dynamics methodologies and apply them to problems in photoactive materials, energy conversion, and sustainable technologies. In the long term, I aim to contribute to the rational design of materials for solar energy harvesting and storage, combining theoretical insight with computational rigor. I am particularly excited by research environments that value collaboration, mentorship, and the exchange of ideas across theory and experiment.
Beyond research, I am passionate about mentoring junior students, sharing knowledge, and engaging in scientific discussions that challenge conventional thinking. I believe that meaningful progress in science emerges from persistence, creativity, and a willingness to tackle complex problems from first principles.