Spectroscopy and Quantum Chemical Studies

Protein-independent light harvesting governed by structural heterogeneity

The paper uses ultrafast spectroscopy to study chlorosomes, revealing structural heterogeneity enables efficient light harvesting without protein scaffolds.

Heterogeneity-Resolved Ultrafast Transient Absorption Spectroscopy of Single Supramolecular Light-Harvesting Antennas

The paper develops a transient absorption microscope to analyze excitation dynamics in single supramolecular light-harvesting antennas, revealing two kinetic components with distinct photophysical properties.

Multi-Scale Simulations of Excited-State Energy Transfer Pathways in the C2S2-Type PSII-LHCII Supercomplex of Spinach

The paper uses simulations to show how energy transfer in PSII-LHCII supercomplexes is directional despite a flat energy landscape, identifying key pathways and dynamic regulation mechanisms.

The impact of carotenoid energy levels on the exciton dynamics and singlet-triplet annihilation in the bacterial Light-Harvesting 2 complex

This paper investigates how varying carotenoid conjugation lengths in bacterial LH2 complexes affect exciton dynamics and singlet-triplet annihilation, revealing that lower carotenoid triplet energy improves BChl triplet quenching.

IR spectroscopy: from experimental spectra to high-resolution structural analysis by integrating simulations and machine learning

The paper predicts high-accuracy vibrational spectra from molecular structures using simulations and evaluates methods for IR-based structure determination.

Probing Phosphorylation-Induced Vibrational Couplings in CFTR by 2D IR Spectra Simulations

This study uses 2D IR spectra simulations to analyze phosphorylation-induced vibrational couplings in CFTR, revealing structure and spectral changes in phosphorylated and unphosphorylated states.