Top Banner
Inverse Design of Nanoparticle Metal-Organic Framework Graduate Student Fellows: Jingtian Hu, Tom Zhao Faculty Advisers: Teri Odom, Neelesh Patankar 1 0 0 1 0 1 1 0 1 1 1 0 1 0 0 1 0 1 0 1 0 0 1 0 1 1 0 0 1 0 1 0 0 0 1 0 1 1 1 1 0 0 1 1 1 0 1 0 0 1 0 0 . . . . . . . . . . . . . 1 0 1 1 1 1 1 0 0 0 1 1 0 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. NP MOF NP, MOF, geometry Absorption(geometry, NP) Gas Storage (geometry, MOF)
1

Inverse Design of Nanoparticle Metal-Organic Framework · Inverse Design of Nanoparticle Metal-Organic Framework Graduate Student Fellows: Jingtian Hu, Tom Zhao Faculty Advisers:

May 27, 2020

Download

Documents

dariahiddleston
Welcome message from author
This document is posted to help you gain knowledge. Please leave a comment to let me know what you think about it! Share it to your friends and learn new things together.
Transcript
Page 1: Inverse Design of Nanoparticle Metal-Organic Framework · Inverse Design of Nanoparticle Metal-Organic Framework Graduate Student Fellows: Jingtian Hu, Tom Zhao Faculty Advisers:

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

1001011011101001010100101100101000101111001110100100. . . . . . . . . . . . .1011111000110

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)