Computational Methods

Ultrashort and intense laser pulses enable the creation and control of electronic dynamics in atoms and molecules on attosecond timescales, where electron correlation and strong-field effects play a central role. Advanced time-dependent computational methods are essential to describe these highly nonlinear processes and to connect microscopic electron motion to experimentally accessible observables. Our group develops and applies first-principles approaches to model strong-field ionization, high-harmonic generation, and attosecond pump–probe spectroscopies in realistic molecular systems, with particular emphasis on multielectron and multichannel dynamics. These efforts are implemented within the ATTOMESA framework and deployed through the AMOS Gateway, providing accessible, high-performance tools for the broader attosecond science community.

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