We develop tools for simulating a range of optical spectroscopies, including Raman, second harmonic generation/sum frequency generation, time-resolved pump-probe, and magneto-optical spectroscopies. We extend and apply these computational tools beyond weakly-interacting regimes, such as Raman spectra in highly anharmonic systems or close to resonances, higher-order susceptibilities and photocurrents, and carrier dynamics and interactions beyond the dilute limit. Current applications span energy-relevant materials such as hybrid organic-inorganics to 2D or topological materials for quantum applications.
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