Achieving high-energy density remains a key objective for advanced energy storage systems. However, challenges, such as poor cathode conductivity, anode dendrite formation, polysulfide shuttling, and ...

Automatically numbering and weighting electronic states instead of taking averages improves estimates of target molecular orbitals.

As global demand for sustainable energy surges, the performance ceiling of current battery technologies is increasingly tied to how efficiently ions ...

The membrane protein bacteriorhodopsin is a proton pump, in which proton transport is initiated by the light-induced isomerization of the chromophore retinal. The molecular quantum states involved in ...

Sum-frequency generation (SFG) is a powerful vibrational spectroscopy that can selectively probe molecular structures at surfaces and interfaces, but its spatial resolution has been limited to the ...