Accessing the thermal transport properties of glasses is a major issue for the design of production strategies of glass industry, as well as for the plethora of applications and devices where glasses are employed. From the computational standpoint, the che ...
Sample efficiency is a fundamental challenge in de novo molecular design. Ideally, molecular generative models should learn to satisfy a desired objective under minimal calls to oracles (computational property predictors). This problem becomes more apparen ...
The synthesis of complex sugars is a key aspect of microbial biology. Cyclic beta-1,2-glucan (C beta G) is a circular polysaccharide critical for host interactions of many bacteria, including major pathogens of humans (Brucella) and plants (Agrobacterium). ...
Heterostructures consisting of SmNiO3 and NdNiO3 alternating layers with additional LaAlO3 spacer layers were grown and fully characterized by means of x-ray diffraction, atomic force microscopy, and scanning transmission electron microscopy. A change in t ...
This code is used for developing the project entitled “Study on conformal antennas, proof of concept prototype for a UAV”, from the aspects of theory, design, and implementation. This code aims to speed up the investigation of an arbitrary phased array ant ...
Machine learning has provided a means to accelerate early-stage drug discovery by combining molecule generation and filtering steps in a single architecture that leverages the experience and design preferences of medicinal chemists. However, designing mach ...
Atomic layer deposition (ALD) is one of the premier methods to synthesize ultra-thin materials on complex surfaces. The technique allows for precise control of the thickness down to single atomic layers, while at the same time providing uniform coverage ev ...
Bayesian Optimization (BO) is typically used to optimize an unknown function f that is noisy and costly to evaluate, by exploiting an acquisition function that must be maximized at each optimization step. Even if provably asymptotically optimal BO algorith ...
Electronic devices play an irreplaceable role in our lives. With the tightening time to market, exploding demand for computing power, and continuous desire for smaller, faster, less energy-consuming, and lower-cost chips, computer-aided design for electron ...
