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Access Type

Open Access Thesis

Document Type


Degree Program

Electrical & Computer Engineering

Degree Type

Master of Science (M.S.)

Year Degree Awarded


Month Degree Awarded



We demonstrate the ability to simulate targeted excitation of atomistic systems using our real-time TDDFT-based simulation framework NESSIE. Traditional ap- proaches for extracting spectra through real-time TDDFT involves excitation of all frequencies via impulse requiring long simulation times and yielding poor resolution. By exciting the system with a modulated sinc pulse between the frequencies of inter- est we are able to obtain a spectral response with far more precision in a significantly shorter time frame than competing implementations.


First Advisor

Eric Polizzi