This National Science Foundation project grant award of $460,884 supports research at Rutgers University, Newark from May 2022 through April 2025 under the Mathematical and Physical Sciences program (CFDA 47.049). Professor Neepa Maitra and her research group will develop new time-dependent density functional and exact factorization methods to computationally simulate molecules in classical and quantized light fields. This includes modeling electron and ion dynamics using density functional theory and the exact factorization approach, as well as extending these methods to hybrid light-matter systems involving polaritons. The research aims to advance understanding and applications in areas like photovoltaic design, quantum control of electronic and nuclear dynamics with ultrafast lasers or cavity tuning. The award also supports training of undergraduate and graduate students, organizing summer schools, and establishing a high school outreach program in the Newark public school district.
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