Tunable transparency in qubit-embedded coupled cavities is investigated theoretically based on coupled-resonator, photothermally, and qubit-assisted induced transparency. Tunable optical response, along with slow–fast light at different frequencies, is shown by adjusting the system coupling strengths and frequency detunings.

Density functional theory (DFT) calculations reveal that quaternary Heusler compounds LiTiRhZ (Z = Si, Ge, Sn) exhibit excellent structural, mechanical, dynamical, and thermodynamic stability with a semiconducting nature. High-temperature thermoelectric performance, particularly the figure of merit (ZT) of ~0.69 for LiTiRhSi at 1000 K, highlights their potential for future thermoelectric applications.

Photo-induced excitation facilitates dual hydrogen bonding strengthening and charge redistribution for H₂BP-(OH)₂DC. Photoexcitation promotes step-by-step ESDPT for H₂BP-(OH)₂DC controlled by solvent polarity.

The HfSe₂ material has the potential as an anode material for Mg ion batteries.

DFT calculations were performed to investigate the structural, electronic, and mechanical properties of Mg-doped SrNbO₃ Perovskite in both pure oxygen and oxygen-deficient configurations. The DOS, contour, and optimization plots illustrate the impact of oxygen vacancies and Mg substitution on stability and electronic behavior. The results suggest that Mg-doped SrNbO₃ exhibits enhanced mechanical properties and metallic nature, highlighting its potential for optoelectronic and energy-related applications.

Iron-sulfur (FeS) clusters are vital in biological redox processes. This study compares various electronic-structure methods for calculating the redox potentials of a synthetic FeS cluster. Broken-symmetry density functional theory (BS-DFT) with the B3LYP functional showed the highest accuracy. Other methods like random phase approximation (RPA) and auxiliary-field quantum Monte Carlo (AFQMC) were also explored, but complete active space (CAS) methods combined with density matrix renormalization group (DMRG) theory were less accurate, likely due to inconsistencies.