Related papers: Feature engineering for microstructure-property ma…
Feature selection methods are widely used in order to solve the 'curse of dimensionality' problem. Many proposed feature selection frameworks, treat all data points equally; neglecting their different representation power and importance. In…
Searching by chemical and structural analogy is one of the most commonly used and successful approaches to materials discovery. However, formulating this task for algorithmic implementation raises the question of how we define similar…
Inspection systems utilizing unmanned aerial vehicles (UAVs) equipped with thermal cameras are increasingly popular for the maintenance of photovoltaic (PV) power plants. However, automation of the inspection task is a challenging problem…
Energy level diagrams in organic electronic devices play a crucial role in device performance and interpretation of device physics. In the case of organic solar cells, it has become routine to estimate the photovoltaic gap of the…
Solution-processed organic photovoltaics (OPV) have recently reached the target 10% power conversion efficiency expected to signal their viable commercialization as an inexpensive and scalable energy conversion technology. However,…
Feature foundation models - usually vision transformers - offer rich semantic descriptors of images, useful for downstream tasks such as (interactive) segmentation and object detection. For computational efficiency these descriptors are…
Accurately rendering the appearance of fabrics is challenging, due to their complex 3D microstructures and specialized optical properties. If we model the geometry and optics of fabrics down to the fiber level, we can achieve unprecedented…
The demand for autonomous vehicles is increasing gradually owing to their enormous potential benefits. However, several challenges, such as vehicle localization, are involved in the development of autonomous vehicles. A simple and secure…
As global demand for food and clean energy intensifies, agrivoltaic systems have emerged as a vital solution for land-use optimization. However, current designs overwhelmingly treat incident light as a classical photon flux, overlooking the…
This study benchmarks the GFN family of semiempirical methods (GFN1-xTB, GFN2-xTB, GFN0-xTB, and GFN-FF) against density functional theory (DFT) for the evaluation of optimized molecular geometries and electronic properties of small organic…
Photoreflectance (PR) is a convenient characterization tool able to reveal optoelectronic properties of semiconductor materials and structures. It is a simple non-destructive and contactless technique which can be used in air at room…
Optical vector analysis (OVA) is an enabling technology for comprehensively characterizing both amplitude and phase responses of optical devices or systems. Conventional OVA technologies are mostly based on discrete optoelectronic…
In this review we identify a new category of structural optimization methods that has emerged over the last 20 years, which we propose to call feature-mapping methods. The two defining aspects of these methods are that the design is…
The active layer microstructure of organic solar cells is critical to efficiency. By studying the photovoltaic properties of organic solar cell's microstructure, it is possible to increase the efficiency of the solar cell. A graph-based…
Micro-structured materials consisting of an array of microstructures are engineered to provide the specific material properties. This present work investigates the design of cellular materials under the framework of level set, so as to…
A novel interface reconstruction strategy for volume of fluid (VOF) methods is introduced that represents the liquid-gas interface as two planes that co-exist within a single computational cell. In comparison to the piecewise linear…
A fundamental challenge in the design of photonic devices, and electromagnetic structures more generally, is the optimization of their overall architecture to achieve a desired response. To this end, topology or shape optimizers based on…
Development of new functional ceramics is important for several applications, including electrochemical batteries and fuel cells. Computational prescreening and selection of such materials can help discover novel materials but is…
We demonstrate an improvement in the performance of organic photovoltaic (OPV) systems based on small molecules by ionic gating via controlled reversible n-doping of multi-wall carbon nanotube (MWCNT) coated on fullerenes ETL: C60 and C70.…
We present Orbit-Space Geometric Probability Paths (OGPP), a particle-native flow-matching framework for generative modeling of particle systems. OGPP is motivated by two insights: (i) particles are defined up to permutation symmetries, so…