Keith Gubbins

Keith Gubbins is a Professor at Cornell University's College of Engineering, specializing in the molecular thermodynamics of confined fluids within porous and nanoporous materials. His research integrates computational modeling with theoretical frameworks to address fundamental challenges in nanoscale fluid behavior.

His primary research domains include:

• Porous Materials Characterization
• Molecular Simulation Techniques
• Thermodynamics of Confined Systems
• Adsorption Phenomena
• Phase Transitions in Nanopores
• Interfacial Pressure Tensor Analysis
• Nanoscale Wetting Behavior

He investigates phenomena such as pressure enhancement in carbon nanopores, melting point depression under confinement, and gas solubility modulation, employing methods like molecular dynamics, density functional theory, and machine learning-enhanced predictive models.

Analysis of his 2020-2025 publications reveals three dominant trends: (1) Advancement of characterization methodologies through melting line/triple point analysis in confined geometries, (2) Development of theoretical constructs like the conformal sites theory for heterogeneous surfaces, and (3) Integration of machine learning with classical thermodynamics to model solubility and phase behavior in nanopores. His work consistently demonstrates how nanoscale confinement fundamentally alters fluid properties, with implications for energy storage, gas separation, and nanofluidic device design.