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The dynamics of the nuclei of both a chromophore and its condensed-phase environment control many spectral features, including the vibronic and inhomogeneous broadening present in spectral line shapes. For the cresyl violet chromophore in methanol, we here analyze and isolate the effect of specific chromophore–solvent interactions on simulated spectral densities, reorganization energies, and linear absorption spectra. Employing both chromophore and its condensed-phase environment control many spectral features, including the vibronic and inhomogeneous broadening present in spectral line shapes. For the cresyl violet chromophore in methanol, we here analyze and isolate the effect of specific chromophore–solvent interactions on simulated spectral densities, reorganization energies, and linear absorption spectra. Employing both force field and ab initio molecular dynamics trajectories along with the inclusion of only certain solvent molecules in the excited-state calculations, we determine that the methanol molecules axial to the chromophore are responsible for the majority of inhomogeneous broadening, with a single methanol molecule that forms an axial hydrogen bond dominating the response. The strong peripheral hydrogen bonds do not contribute to spectral broadening, as they are very stable throughout the dynamics and do not lead to increased energy-gap fluctuations. We also find that treating the strong peripheral hydrogen bonds as molecular mechanical point charges during the molecular dynamics simulation underestimates the vibronic coupling. Including these peripheral hydrogen bonding methanol molecules in the quantum-mechanical region in a geometry optimization increases the vibronic coupling, suggesting that a more advanced treatment of these strongly interacting solvent molecules during the molecular dynamics trajectory may be necessary to capture the full vibronic spectral broadening. 

A soft, flexible pressure sensor is developed to measure hydrostatic pressure in the ocean environment, which can be potentially integrated with many platforms including diver equipment and marine animal tags for real-time pressure monitoring. 

Abstract Liquid metals (LMs), renowned for their high conductivity and large deformability, find increasing applications including in flexible electronics and soft robotics. One critical process in these applications is the precise patterning of LMs into desired shapes. Yet, existing LM patterning techniques predominantly focus on 2D patterns due to challenges posed by the inherent fluidity and leakage of LMs. Here, we introduce an approach that bypasses these limitations, enabling the creation of complex 3D leakage‐free LM structures. This is achieved through mechanical programming of 2D magnetically immobilized LM paste formed via incorporating magnetic particles into LMs. Such composite effectively resists leakage due to the combined effect of strong magnetic inter‐attraction within the porous magnetic networks and the high surface tension of LMs, while retaining the high conductivity. Diverse freestanding magnetic LM structures, obtained upon LM solidification at ambient temperature, dynamically morph between their 2D and various 3D configurations through multiple cycles of induction heating and magnetic‐assisted reprogramming, featuring large compression resistance and self‐healing capabilities. Potential applications of these leakage‐resistant, shape‐adaptable structures are demonstrated through a helical magnetic LM antenna, which showcases its efficiency in wireless communication and energy harvesting. 

Including both environmental and vibronic effects is important for accurate simulation of optical spectra, but combining these effects remains computationally challenging. We outline two approaches that consider both the explicit atomistic environment and the vibronic transitions. Both phenomena are responsible for spectral shapes in linear spectroscopy and the electronic evolution measured in nonlinear spectroscopy. The first approach utilizes snapshots of chromophore-environment configurations for which chromophore normal modes are determined. We outline various approximations for this static approach that assumes harmonic potentials and ignores dynamic system-environment coupling. The second approach obtains excitation energies for a series of time-correlated snapshots. This dynamic approach relies on the accurate truncation of the cumulant expansion but treats the dynamics of the chromophore and the environment on equal footing. Both approaches show significant potential for making strides toward more accurate optical spectroscopy simulations of complex condensed phase systems.