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Research area 2 of 5

3D Modeling iSAFT

Extending iSAFT methods to model complex molecular systems in three dimensions.

Research overview

This work extends iSAFT calculations into three dimensions so spatially complex molecular systems can be studied without reducing their geometry to a simpler one-dimensional description.

Research direction

The project brings together molecular theory, high-performance numerical methods, and three-dimensional visualization. This page can grow to include model details, computational results, figures, and associated publications.