Impact Award: Inverse Design of Interactions for Assembly
AIChE Annual Meeting
2016
2016 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Plenary Session: Computational Molecular Science and Engineering Forum
Wednesday, November 16, 2016 - 12:30pm to 1:10pm
Nanometer-scale, colloidally-stable particles suspended in a fluid can be driven to assemble into a wide variety of different structures depending on the control parameters of the system and the nature of the effective interparticle interactions. In many cases, the relevant interactions are tunable via external fields, physical or chemical modification of the particle surfaces, or changes in the composition of the suspending solvent. In this talk, we discuss some of the theoretical challenges associated with the inverse design of interactions for assembly into a targeted structure and the opportunities that new
machine learning based simulation approaches provide for addressing them.