15 papers · ranked by Valyu relevance
Authors not listed
The global drive towards net-zero has accelerated the adoption of carbon fibre reinforced polymers (CFRP) for lightweight structures in various sectors such as aerospace, automotive, energy and biomedical. Mechanical machining of CFRP is often necessary to meet dimensional or assembly-related requirements. However…
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This article presents an overview about the state of the art in the development of structured packings for distillation applications. The focus is on highlighting different approaches including heuristic development cycles, the development of new packing structures, 3D-printing as tool for manufacturing, and…
Andre KY Low, Flore Mekki-Berrada, Aleksandr Ostudin, Jiaxun Xie + 7 more
The development of automated high-throughput experimental platforms has enabled fast sampling of high-dimensional decision spaces. To reach target properties efficiently, these platforms are increasingly paired with intelligent experimental design. When solving optimization problems, Bayesian-based optimizers are often…
Riley Hickman, Priyansh Parakh, Austin Cheng, Qianxiang Ai + 3 more
Experiment planning algorithms are a required component of autonomous platforms for scientific discovery. Selecting a suitable optimization algorithm for a novel application is an important yet difficult choice a researcher has to make based on past empirical performance on similar tasks. To facilitate the evaluation…
Wataru Matsuoka, Taihei Oki, Ren Yamada, Tomohiko Yokoyama + 4 more
Ligand engineering is one of the most important, but labor-intensive processes in the development of transition metal catalysis. Historically, this process has been streamlined by the invention of ligand descriptors such as Tolman’s electronic parameter and the cone angle. Analyzing reaction outcomes in terms of these…
Yannick Ureel, Maarten R. Dobbelaere, Yi Ouyang, Kevin De Ras + 3 more
By combining machine learning with design of experiments, so-called active machine learning, more efficient and cheaper research can be conducted. Machine learning algorithms are more flexible, and are better at investigating the processes spanning all length scales of chemical engineering. While the active machine…
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Continuous manufacturing processes offer significant advantages over batch processes, including easier scalability, reduced costs, lower raw material and solvent consumption, and improved energy efficiency. A robust techno-economic assessment is therefore essential to evaluate and facilitate the adoption of such…
Sterling Baird, Jason R. Hall, Taylor D. Sparks
Would you rather search for a line inside a cube or a point inside a square? Physics-based simulations and wet-lab experiments often have symmetries (degeneracies) that allow reducing problem dimensionality or search space, but constraining these degeneracies is often unsupported or difficult to implement in many…
Riley Hickman, Matteo Aldeghi, Alán Aspuru-Guzik
Model-based optimization strategies, such as Bayesian optimization (BO), have been deployed across the natural sciences in design and discovery campaigns due to their sample efficiency and flexibility. The combination of such strategies with automated laboratory equipment and/or high-performance computing in a…
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Bayesian optimization (BO) has become increasingly important for experimental optimization across scientific domains, yet implementing BO pipelines requires significant programming expertise and familiarity with specialized frameworks. This creates a barrier for domain experts who could benefit from BO but lack the…
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Experimental design plays an important role in efficiently acquiring informative data for system characterization and deriving robust conclusions under resource limitations. Recent advancements in high-throughput experimentation coupled with machine learning have notably improved experimental procedures. While Bayesian…
Luis I. Gutierrez-Rus, Eva Vos, David Pantoja-Uceda, Gyula Hoffka + 6 more
Enzymes are the quintessential green catalysts, but realizing their full potential for biotechnology typically requires improvement of their biomolecular properties. Catalysis enhancement, however, is often accompanied by impaired stability. Here, we show how the interplay between activity and stability in enzyme…
Katie Fan
Metabolic engineering in plants has emerged as a powerful approach to address global challenges in agriculture, nutrition, and sustainability. This comprehensive review explores cutting-edge strategies for manipulating primary and secondary metabolic pathways in plants, utilizing advanced genetic modification tools to…
Yalin Li, John Trimmer, Steven Hand, Xinyi Zhang + 6 more
The pursuit of sustainability has catalyzed broad investment in the research, development, and deployment (RD&D) of innovative water, sanitation, and resource recovery technologies, yet the lack of transparent and agile methodologies to navigate the expansive landscape of technology development pathways remains a…
Justin Chalker, Rumana Hossain, Veena Sahajwalla
The principles of Green Chemistry and Engineering were formalised more than 20 years ago to guide us toward a safe and sustainable future. This framework is as important as ever in the development of chemical technologies that support human well-being while addressing the complex challenges we face in sustainability.…