Scientific software
I build research software to turn open-quantum-system theories into reproducible simulations of dynamics and spectra.
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Selected projects
Simulates linear and nonlinear spectroscopy by combining partial linearized density-matrix dynamics with Lindblad dissipation, separating Markovian and non-Markovian effects within one calculation.
Cost-reduction strategies for linear and two-dimensional spectra of large molecular ensembles under collective light–matter coupling, designed to work with general mixed quantum–classical dynamics.
Implementations for spin-mapping and learning-assisted trajectory dynamics, aimed at moving beyond the accuracy and scaling limits of current PLDM-based spectroscopy simulations.
Fewest-switches surface hopping with IDC/EDC decoherence corrections, fast nonadiabatic-coupling evaluation from orbital overlaps, and distributed trajectory sampling.