Related papers: Inverse Design Method with Enhanced Sampling for C…
Inverse material design is a cornerstone challenge in materials science, with significant applications across many industries. Traditional approaches that invert the structure-property (SP) linkage to identify microstructures with targeted…
Generative models show great promise for the inverse design of molecules and inorganic crystals, but remain largely ineffective within more complex structures such as amorphous materials. Here, we present a diffusion model that reliably…
Generative deep learning is powering a wave of new innovations in materials design. In this article, we discuss the basic operating principles of these methods and their advantages over rational design through the lens of a case study on…
Inverse design of slender elastic structures underlies a wide range of applications in computer graphics, flexible electronics, biomedical devices, and soft robotics. Traditional optimization-based approaches, however, are often orders of…
We describe a reverse integration approach for the exploration of low-dimensional effective potential landscapes. Coarse reverse integration initialized on a ring of coarse states enables efficient "navigation" on the landscape terrain:…
The advent of two-dimensional metamaterials in recent years has ushered in a revolutionary means to manipulate the behavior of light on the nanoscale. The effective parameters of these architected materials render unprecedented control over…
Mechanical metamaterials enable precise control over structural properties, but their design method remains challenging due to their complex structure. Although additive manufacturing has expanded geometric freedom, navigating this vast and…
Inverse design techniques in the context of nanophotonics have helped in discovery of compact and counter-intuitive structures/shapes. We introduce the concept of spectral domain inverse design to search through the optical trade-space…
The conversion of $\mathrm{CO_2}$ into useful products such as methanol is a key strategy for abating climate change and our dependence on fossil fuels. Developing new catalysts for this process is costly and time-consuming and can thus…
As in many other fields, the rapid rise of generative artificial intelligence is reshaping materials discovery by offering new ways to propose crystal structures and, in some cases, even predict desired properties. This review provides a…
Inverse design (ID) is a computational method that systematically explores a design space to find optimal device geometries based on specific performance criteria. In silicon photonics, ID often leads to devices with design features that…
We apply inverse design methods to produce two-dimensional triangular-lattice plasma metamaterial (PMM) devices which are then constructed and demonstrated experimentally. Finite difference frequency domain simulations are used along with…
Directly manipulating the atomic structure to achieve a specific property is a long pursuit in the field of materials. However, hindered by the disordered, non-prototypical glass structure and the complex interplay between structure and…
Photonic crystal cavities confine light to subwavelength volumes, enabling strong light-matter interactions for applications in low-power photonics, opto-electronics, nonlinear optics, and quantum information. These applications demand…
Conventional phased-array metasurfaces utilize resonant nanoparticles or nanowaveguides to specify spatially-dependent amplitude and phase responses to light. In nearly all these implementations, subwavelength-scale elements are stitched…
Inverse statistical-mechanical methods have recently been employed to design optimized short-ranged radial (isotropic) pair potentials that robustly produce novel targeted classical ground-state many-particle configurations. The target…
The advent of advanced crystallographic techniques has shifted structural biology from static, single-conformer models toward probing protein dynamics. Extracting cooperative motions from temporally and spatially averaged electron density…
We apply a systematic inverse design approach to discover foundry-compliant, multilayer grating couplers that can efficiently couple a number of independent waves from free space to on-chip propagating modes. For visible- and near-infrared…
Inverse electromagnetic design has emerged as a way of efficiently designing active and passive electromagnetic devices. This maturing strategy involves optimizing the shape or topology of a device in order to improve a figure of merit--a…
Coarse-grained models are a core computational tool in theoretical chemistry and biophysics. A judicious choice of a coarse-grained model can yield physical insight by isolating the essential degrees of freedom that dictate the…