Collaborative Research: Computational Studies of Thermodynamic and Electrostatic Properties of Water

The principal investigators, in collaboration with Dr. Frank Spera of the University of California/Santa Barbara, will study the atomistic and thermodynamic properties of H2O systems using computational techniques. The main aim is to theoretically predict the behavior of H2O under temperature and pressure conditions that are impractical for direct experimentation. Data such as these will be especially valuable to earth scientists studying the behavior of H2O-bearing systems that exist deep within the Earth.