Inverse Design of Nanoparticle Metal-Organic FrameworkGraduate Student Fellows: Jingtian Hu, Tom Zhao Faculty Advisers: Teri Odom, Neelesh Patankar

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Optimization Scheme

Temperature Field

MOF Reactions

Temperature(x,y,z)

Optimized Structure

Research Objective: We propose a design cycle for coupled NP/MOF structures that optimizes the system geometry and materials selection for tasks such as gas storage, drug delivery and catalysis.

NPMOF

NP, MOF, geometry

Absorption(geometry, NP)

Gas Storage (geometry, MOF)