Research Areas

The STREAM Group aims to accelerate the development of current and future energy-related technologies by providing an atomistic-level understanding of key processes occurring at liquid–solid interfaces.

Our research focuses on organic/inorganic, aqueous, and electrified interfaces. A central direction of the group is the study of electrochemical environments, where interfacial water, ions, applied potentials, and surface structure act together to determine reaction mechanisms and charge-transfer processes. We aim to understand these effects at the molecular level and to develop descriptors that can help guide the rational design of electrochemical interfaces.

To tackle these challenges, we develop and apply advanced first-principles simulation methods, complemented by machine-learning techniques that allow us to reach the accuracy and complexity required by the scientific question. We also develop theoretical methods to calculate quantum reaction rates and simulate vibrational spectroscopies, including tip-enhanced Raman spectroscopy, sum-frequency generation, infrared, and Raman spectroscopy.

We enjoy collaborating with experimentalists and theoreticians alike to address challenging problems in interfacial chemistry, electrochemistry, spectroscopy, and energy-related materials.