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Machine learning-assisted design of material properties
Sanket Kadulkar, Zachary M. Sherman, Venkat Ganesan +1
Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional p…
Assembling Inorganic Nanocrystal Gels
Allison M. Green, Charles K. Ofosu, Jiho Kang +3
Inorganic nanocrystal gels retain distinct properties of individual nanocrystals while offering tunable, network structure-dependent characteristics. We review different mechanisms…
Probabilistic inverse design for self assembling materials
R. B. Jadrich, B. A. Lindquist, T. M. Truskett
One emerging approach for the fabrication of complex architectures on the nanoscale is to utilize particles customized to intrinsically self-assemble into a desired structure. Inve…
Dimensionality and design of isotropic interactions that stabilize honeycomb, square, simple cubic, and diamond lattices
Avni Jain, Jeffrey R. Errington, Thomas M. Truskett
We use inverse methods of statistical mechanics and computer simulations to investigate whether an isotropic interaction designed to stabilize a given two-dimensional (2D) lattice…
Perspective: Inverse methods for material design
Avni Jain, Jonathan A. Bollinger, Thomas M. Truskett
In this Perspective, we highlight several recent studies that illustrate how inverse strategies using appropriate physical models and computational methods can address complex mate…
Phase Behavior of Materials with Isotropic Interactions Designed by Inverse Strategies to Favor Diamond and Simple Cubic Lattice Ground States
Avni Jain, Jeffrey R. Errington, Thomas M. Truskett
We use molecular simulation to construct equilibrium phase diagrams for two recently introduced model materials with isotropic, soft-repulsive pair interactions designed to favor d…