Author

Eli Zick

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Preprint Jul 2026

Gradient-Based Inverse Design of Free-Energy Landscapes with Diffusion Models

Free-energy surfaces govern the populations of metastable states and the barriers that control transitions between them, making their direct optimization a central challenge in molecular and materials design. In this work, we introduce Gradient-Based Free Energy Surface Optimization (GB-FESO), an inverse design framewo...

Eli Zick, Dan Mendels · 0 citations