This research aims to explore the design and fabrication of carbon nanotube porins using molecular dynamics simulations.
Conducted molecular dynamics simulations to model the self-assembly process.
Utilized free energy calculations to assess the stability of the assembly.
Analyzed various design parameters for tunability in porin properties.
Identified factors that influence the self-assembly of carbon nanotube porins.
Demonstrated the potential for tunable properties in the designed structures.
Showed variations in free energy that correlate with different configurations of nanotube porins.
Abstract
Molecular dynamics simulations and free energy calculations of the self-assembly process of carbon nanotube porins reveal opportunities for tunable fabrication