Search Results - "Alston, Ben M"
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Accelerated robotic discovery of type II porous liquids
Published in Chemical science (Cambridge) (07-11-2019)“…Porous liquids are an emerging class of materials and to date little is known about how to best design their properties. For example, bulky solvents are…”
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From Concept to Crystals via Prediction: Multi‐Component Organic Cage Pots by Social Self‐Sorting
Published in Angewandte Chemie International Edition (04-11-2019)“…We describe the a priori computational prediction and realization of multi‐component cage pots, starting with molecular predictions based on candidate…”
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Computationally-Guided Synthetic Control over Pore Size in Isostructural Porous Organic Cages
Published in ACS central science (26-07-2017)“…The physical properties of 3-D porous solids are defined by their molecular geometry. Hence, precise control of pore size, pore shape, and pore connectivity…”
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A mobile robotic chemist
Published in Nature (London) (09-07-2020)“…Technologies such as batteries, biomaterials and heterogeneous catalysts have functions that are defined by mixtures of molecular and mesoscale components. As…”
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Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights
Published in Chemical science (Cambridge) (21-11-2019)“…Organic molecules tend to close pack to form dense structures when they are crystallised from organic solvents. Porous molecular crystals defy this rule: they…”
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From Concept to Crystals via Prediction: Multi‐Component Organic Cage Pots by Social Self‐Sorting
Published in Angewandte Chemie (04-11-2019)“…We describe the a priori computational prediction and realization of multi‐component cage pots, starting with molecular predictions based on candidate…”
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Accelerated robotic discovery of type II porous liquids† †Electronic supplementary information (ESI) available: Detailed synthetic procedures, experimental details and measurements (PDF). See DOI: 10.1039/c9sc03316e
Published in Chemical science (Cambridge) (28-08-2019)“…High-throughput automation was used to streamline the synthesis, characterisation, and solubility testing, of new Type II porous liquids, accelerating their…”
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Mining predicted crystal structure landscapes with high throughput crystallisation: old molecules, new insights† †Electronic supplementary information (ESI) available: Computational methodology, crystallographic data, robot configuration, NMR, TGA, DSC, and gas sorption data. CCDC 1915299–1915315. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c9sc02832c
Published in Chemical science (Cambridge) (17-09-2019)“…New crystal forms of two well-studied organic molecules are identified in a computationally targeted way, by combining structure prediction with a robotic…”
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