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Fluid Mechanics and Transport Theories in Nanopores 

Our research in this area has focused on revisiting continuum-based theories for fluidic transport in nanopores based on information from molecular-level simulations

  • Corrected the Hagen–Poiseuille law for flow in carbon-based nanopores 

  • Analytically modified the Sampson's equation for flow in ultrathin nanopores

  • Modified the Lucas-Washburn equation for capillary rise in nanopores


Ion-Ion Selective Transport in Membranes

Our research in this area has focused on advancing our understanding of ion-ion selective transport in membranes. This understanding enables development of novel materials for extracting high-value minerals from seawater and wastewater

  • Identified five research areas where future computational efforts should focus in order to gain a better mechanistic understanding of ion and water transport in polymeric membranes

  • Assessed how ion-membrane binding energies affect membrane permeability of similarly sized cations: Cu2+, Ni2+, Zn2+, Co2+, and Mg2+

  • Revealed the molecular-level mechanism by which fluoride ions can be removed from water resources


Material Discovery for Nanopore Technology

Our research in this area has focused on understanding transport of water and ions through novel 2D materials for a range of applications such as water desalination and power generation

  • Studied transport of water and ions in a single-layer molybdenum disulfide. This study led to discovery molybdenum disulfide as a potential material for water desalination

  • Investigated selective-ion transport in a single-layer molybdenum disulfide. This study led to discovery molybdenum disulfide as a potential material for power generation

  • Performed quantum mechanical calculations to obtain molecular interaction parameters between molybdenum disulfide and water


Single-Molecule Detection using Nanopores and 2D Materials

Our research in this area has focused on detection of single-biomolecule detection using nanopores and 2D materials

  • Investigated the behavior of ionic structures and their shielding of biomarker molecule charge crumpled graphene-based FET

  • Developed machine learning models for predicting measurement signals of all essential amino acids though single-layer molybdenum disulfide nanopores

  • Studied mechanical response of MscL protein channels as DNA molecules pass through their channels


Co-first author

Co-first author

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