| Abstract
| - The excess proton in aqueous media plays a pivotal role in many fundamental chemical (e.g., acid−basechemistry) and biological (e.g., bioenergetics and enzyme catalysis) processes. Understanding the hydratedproton is, therefore, crucial for chemistry, biology, and materials sciences. Although well studied for over200 years, excess proton solvation and transport remains to this day mysterious, surprising, and perhaps evenmisunderstood. In this feature article, various efforts to address this problem through computer modeling andsimulation will be described. Applications of computer simulations to a number of important and interestingsystems will be presented, highlighting the roles of charge delocalization and Grotthuss shuttling, a phenomenonunique in many ways to the excess proton in water.
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