We report the detailed background for the discovery and development of the synthesis of homopropargylic azides by the azidoalkynylation of alkenes. Initially, a strategy involving SOMOphilic alkynes was adopted, but only resulted in a 29% yield of the desi ...
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 ...
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 ...
Healthcare sector buildings, particularly hospitals, significantly contribute to global energy consumption and greenhouse gas emissions. Hospitals require a substantial amount of steam, including the essential hygienic or " clean steam, " that is currently ...
In light of the challenges posed by climate change and the goals of the Paris Agreement, electricity generation is shifting to a more renewable and decentralized pattern, while the operation of systems like buildings is increasingly electrified. This calls ...
Buildings play a pivotal role in the ongoing worldwide energy transition, accounting for 30% of the global energy consumption. With traditional engineering solutions reaching their limits to tackle such large-scale problems, data-driven methods and Machine ...
In this paper, we present a new parameterization and optimization procedure for minimizing the weight of ribbed plates. The primary goal is to reduce embodied CO2 in concrete floors as part of the effort to diminish the carbon footprint of the construction ...
The SMall Aspect Ratio Tokamak (SMART) under commissioning at the University of Seville, Spain, aims to explore confinement properties and possible advantages in confinement for compact/spherical tokamaks operating at negative vs. positive triangularity. T ...
The scientific progress is significantly transforming contemporary society with the introduction and widespread application of technologies like artificial intelligence and quantum computing. Despite their profound impact, these technologies necessitate en ...
