Search Results - "Lapkin, Alexei A."

Improved stability of Y2O3 supported Ni catalysts for CO2 methanation by precursor-determined metal-support interaction by Yan, Yong, Dai, Yihu, Yang, Yanhui, Lapkin, Alexei A.

“…[Display omitted] •Tune the metal-support interaction via pre-calcination of the Y-precursors.•Metal support interaction determined the stability to…”
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Machine learning meets continuous flow chemistry: Automated optimization towards the Pareto front of multiple objectives by Schweidtmann, Artur M., Clayton, Adam D., Holmes, Nicholas, Bradford, Eric, Bourne, Richard A., Lapkin, Alexei A.

“…[Display omitted] •Multi-objective algorithm applied to the self-optimization of flow reactor.•Algorithm simultaneously targeted reactor productivity and…”
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Hydrodynamic assembly of two-dimensional layered double hydroxide nanostructures by Jose, Nicholas A., Zeng, Hua Chun, Lapkin, Alexei A.

“…Formation mechanisms of two-dimensional nanostructures in wet syntheses are poorly understood. Even more enigmatic is the influence of hydrodynamic forces…”
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Automatic discovery and optimization of chemical processes by Houben, Claudia, Lapkin, Alexei A

“…•An overview of closed-loop experiment systems for materials discovery.•Discussion of machine-learning algorithms for target optimization in chemical…”
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A dynamic knowledge graph approach to distributed self-driving laboratories by Bai, Jiaru, Mosbach, Sebastian, Taylor, Connor J., Karan, Dogancan, Lee, Kok Foong, Rihm, Simon D., Akroyd, Jethro, Lapkin, Alexei A., Kraft, Markus

“…The ability to integrate resources and share knowledge across organisations empowers scientists to expedite the scientific discovery process. This is…”
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Continuous-Flow Synthesis and Derivatization of Aziridines through Palladium-Catalyzed C(sp3)−H Activation by Zakrzewski, Jacek, Smalley, Adam P., Kabeshov, Mikhail A., Gaunt, Matthew J., Lapkin, Alexei A.

“…A continuous‐flow synthesis of aziridines by palladium‐catalyzed C(sp3)−H activation is described. The new flow reaction could be combined with an…”
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From Platform to Knowledge Graph: Evolution of Laboratory Automation by Bai, Jiaru, Cao, Liwei, Mosbach, Sebastian, Akroyd, Jethro, Lapkin, Alexei A, Kraft, Markus

“…High-fidelity computer-aided experimentation is becoming more accessible with the development of computing power and artificial intelligence tools. The…”
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Carbon neutral manufacturing via on-site CO2 recycling by Barecka, Magda H., Ager, Joel W., Lapkin, Alexei A.

“…The chemical industry needs to significantly decrease carbon dioxide (CO2) emissions in order to meet the 2050 carbon neutrality goal. Utilization of CO2 as a…”
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Closed-Loop Multitarget Optimization for Discovery of New Emulsion Polymerization Recipes by Houben, Claudia, Peremezhney, Nicolai, Zubov, Alexandr, Kosek, Juraj, Lapkin, Alexei A

“…Self-optimization of chemical reactions enables faster optimization of reaction conditions or discovery of molecules with required target properties. The…”
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Completing and Balancing Database Excerpted Chemical Reactions with a Hybrid Mechanistic-Machine Learning Approach by Zhang, Chonghuan, Arun, Adarsh, Lapkin, Alexei A.

“…Computer-aided synthesis planning (CASP) development of reaction routes requires an understanding of complete reaction structures. However, most reactions in…”
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Anti-plasmodial polyvalent interactions in Artemisia annua L. aqueous extract--possible synergistic and resistance mechanisms by Suberu, John O, Gorka, Alexander P, Jacobs, Lauren, Roepe, Paul D, Sullivan, Neil, Barker, Guy C, Lapkin, Alexei A

“…Artemisia annua hot water infusion (tea) has been used in in vitro experiments against P. falciparum malaria parasites to test potency relative to equivalent…”
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Techno-economic assessment of emerging CO2 electrolysis technologies by Barecka, Magda H., Ager, Joel W., Lapkin, Alexei A.

“…Recycling of waste CO2 to bulk chemicals has a tremendous potential for the decarbonization of the chemical industry. Quantitative analysis of the prospects of…”
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Comparative Assessment of Technologies for Extraction of Artemisinin by Lapkin, Alexei A, Plucinski, Pawel K, Cutler, Malcolm

“…This paper describes results of a multiobjective comparative assessment of several established and emerging technologies for extraction of a natural…”
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Minor Product Polymerization Causes Failure of High-Current CO2‑to-Ethylene Electrolyzers by Kovalev, Mikhail K, Ren, Hangjuan, Zakir Muhamad, Marsha, Ager, Joel W, Lapkin, Alexei A

“…Flooding of gas diffusion electrodes (GDEs) used in electrochemical conversion of CO2 to ethylene is caused by polymerization of minor products. The polymer so…”
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Shear and Solvent‐Mediated Fabrication of Layered Double‐Hydroxide Superstructures for High‐Rate Supercapacitor Cathodes by Jose, Nicholas A., Kovalev, Mikhail, Lapkin, Alexei A.

“…The development of sustainable energy economies is blocked by the lack of stable electrical energy sources with high power and energy densities…”
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Accelerating Formulation Design via Machine Learning: Generating a High-throughput Shampoo Formulations Dataset by Chitre, Aniket, Querimit, Robert C. M., Rihm, Simon D., Karan, Dogancan, Zhu, Benchuan, Wang, Ke, Wang, Long, Hippalgaonkar, Kedar, Lapkin, Alexei A.

“…Liquid formulations are ubiquitous yet have lengthy product development cycles owing to the complex physical interactions between ingredients making it…”
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Chemical storage of renewable energy by Ager, Joel W, Lapkin, Alexei A

“…A stable electrochemical cell selectively produces ethylene from carbon dioxide The conversion of carbon dioxide (CO 2 ) into fuels and chemicals using…”
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In silico rationalisation of selectivity and reactivity in Pd-catalysed C–H activation reactions by Cao, Liwei, Kabeshov, Mikhail, Ley, Steven V, Lapkin, Alexei A

“…A computational approach has been developed to automatically generate and analyse the structures of the intermediates of palladium-catalysed carbon–hydrogen…”
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CO2 electroreduction favors carbon isotope 12C over 13C and facilitates isotope separation by Barecka, Magda H., Kovalev, Mikhail K., Muhamad, Marsha Zakir, Ren, Hangjuan, Ager, Joel W., Lapkin, Alexei A.

“…We discovered that CO2 electroreduction strongly favors the conversion of the dominant isotope of carbon (12C) and discriminates against the less abundant,…”
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A review of molecular representation in the age of machine learning by Wigh, Daniel S., Goodman, Jonathan M., Lapkin, Alexei A.

“…Research in chemistry increasingly requires interdisciplinary work prompted by, among other things, advances in computing, machine learning, and artificial…”
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