OpenSANS: A Semi-Analytical solver for Nonlocal plasmonicS

2024 roadmap on membrane desalination technology at the water-energy nexus

“…Here, important challenges reside in the proper treatment of non-classical phenomena such as Landau damping, quantum tunneling, and nonlocality for materials with nanometric features where these effects might become important [161][162][163]. Recently developed codes implement a rigorous treatment of such effects for nanostructures with simple shapes [164]. depicts the subsequent refinement process through a funnel analogy, where a large initial dataset of 10 000-500 000 materials is systematically narrowed down based on sequential property evaluations with each requiring an increasing computational cost and complexity.…”

“…The use of dedicated informatic infrastructures [172,173] designed to run high-throughput calculations and that allow the creation of turn-key solutions through high-level automated workflows can ease the computational process by incorporating the various steps needed for the complete computational characterization of a photothermal nanostructure into a single script that requires only minimal input. The field will also benefit from further developments in classical and semi-classical electromagnetic simulation codes, especially in open-source packages, expanding the treatment of simple shapes [164] to allow more complex geometries at both the microscale and nanoscale and including non-classical phenomena relevant at the nanoscale [161][162][163]. Finally, it is possible to envisage a relevant role for AI algorithms both in the accelerated selection of materials starting from the results of high-throughput screenings and in the optimization of the shape and size of thermoplasmonic nanostructures for solar desalination.…”