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Artificial-Intelligence Driven Discovery and Synthesis of Polyoxometalate Clusters

Total Cost €


EC-Contrib. €






 SMART-POM project word cloud

Explore the words cloud of the SMART-POM project. It provides you a very rough idea of what is the project "SMART-POM" about.

gold    precisely    smart    functional    flow    devise    catalysts    entirely    polyoxometalates    nm    locating    pot    search    synthetic    benefit    doped    world    nanoclusters    paradigm    materials    intelligent    discovery    automation    equilibrium    merely    conversion    bistable    precursors    space    water    links    vast    automated    needing    metal    synthesise    physical    electrochemical    elucidate    ubb    intelligence    block    algorithms    discover    blocks    time    give    mechanistic    emergent    single    artificial    clusters    first    novelty    move    oxides    molecule    barrier    synthesis    building    preparation    combinations    gigantic    magic    found    sensors    pom    combinatorial    feedback    ing    molecules    break    adaptive    platform    introduces    nano    oxidation    extend    sensory    understand    size    molecular    batch    rules    mechanism    oxide    outline    chemistry    assembly    photochemical    myriad    universal    fundamental   

Project "SMART-POM" data sheet

The following table provides information about the project.


Organization address
postcode: G12 8QQ

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country United Kingdom [UK]
 Project website
 Total cost 2˙464˙532 €
 EC max contribution 2˙464˙532 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2014-ADG
 Funding Scheme ERC-ADG
 Starting year 2015
 Duration (year-month-day) from 2015-11-01   to  2020-10-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITY OF GLASGOW UK (GLASGOW) coordinator 2˙464˙532.00


 Project objective

We outline a 5 year programme that introduces a new platform for the preparation, understanding, and exploitation of precisely defined nano-molecules / materials based upon the assembly of molecular metal oxide precursors (polyoxometalates) under non-equilibrium conditions with well-defined physical properties using automated intelligent feedback. We will elucidate the mechanism of assembly of these gigantic molecules and devise a set of rules similar to the magic numbers found in gold nanoclusters, using these to break the 10 nm size barrier for a single molecule. Targeted properties include photochemical and electrochemical sensors, bistable molecules, doped traditional oxides with polyoxometalates, and new catalysts including water oxidation via a Universal Building Block (UBB) approach that links properties of the building blocks with emergent properties of the resulting clusters and materials for the first time. The new approach includes the conversion of batch to flow synthesis not only for automation, but to understand fundamental mechanistic aspects, and to use artificial intelligence algorithms to help move through the myriad of possible combinations (without needing to synthesise every possible molecule). The SMART-POM approach is therefore not merely automation of one-pot chemistry, but an entirely new paradigm building on our recent developments and will allow us to move through a vast combinatorial space effectively only locating areas of novelty via feedback control. This feedback will be used to discover, design, and develop complex, adaptive and functional metal oxide-based materials based upon sensory feedback from the physical properties measurements. Thus SMART-POM will open up a whole new synthetic space, give mechanistic understanding, and allow the discovery of molecules with potential real-world applications. Finally, we will aim to extend the SMART-POM paradigm to other areas of chemistry which will benefit from the search for novelty.


year authors and title journal last update
List of publications.
2018 Jan K. Szymański, Yousef M. Abul-Haija, Leroy Cronin
Exploring Strategies To Bias Sequence in Natural and Synthetic Oligomers and Polymers
published pages: 649-658, ISSN: 0001-4842, DOI: 10.1021/acs.accounts.7b00495
Accounts of Chemical Research 51/3 2019-07-05
2017 Vladislav Kulikov, Naomi A. B. Johnson, Andrew J. Surman, Marie Hutin, Sharon M. Kelly, Mohammed Hezwani, De-Liang Long, Gerd Meyer, Leroy Cronin
Spontaneous Assembly of an Organic-Inorganic Nucleic Acid Z-DNA Double-Helix Structure
published pages: 1141-1145, ISSN: 1433-7851, DOI: 10.1002/anie.201606658
Angewandte Chemie International Edition 56/4 2019-07-05
2016 Lorna G. Christie, Andrew J. Surman, Rachel A. Scullion, Feng Xu, De-Liang Long, Leroy Cronin
Overcoming the Crystallization Bottleneck: A Family of Gigantic Inorganic {Pd x } L ( x= 84, 72) Palladium Macrocycles Discovered using Solution Techniques
published pages: 12741-12745, ISSN: 1433-7851, DOI: 10.1002/anie.201606005
Angewandte Chemie International Edition 55/41 2019-07-05
2018 Qi Zheng, Laia Vilà-Nadal, Zhongling Lang, Jia-Jia Chen, De-Liang Long, Jennifer S. Mathieson, Josep M. Poblet, Leroy Cronin
Self-Sorting of Heteroanions in the Assembly of Cross-Shaped Polyoxometalate Clusters
published pages: 2595-2601, ISSN: 0002-7863, DOI: 10.1021/jacs.7b11982
Journal of the American Chemical Society 140/7 2019-07-05
2016 Philip J Kitson, Stefan Glatzel, Leroy Cronin
The digital code driven autonomous synthesis of ibuprofen automated in a 3D-printer-based robot
published pages: 2776-2783, ISSN: 1860-5397, DOI: 10.3762/bjoc.12.276
Beilstein Journal of Organic Chemistry 12 2019-07-05
2016 Andrew J. Surman, Philip J. Robbins, Jakub Ujma, Qi Zheng, Perdita. E. Barran, Leroy Cronin
Sizing and Discovery of Nanosized Polyoxometalate Clusters by Mass Spectrometry
published pages: 3824-3830, ISSN: 0002-7863, DOI: 10.1021/jacs.6b00070
Journal of the American Chemical Society 138/11 2019-07-05
2016 Weimin Xuan, Andrew J. Surman, Qi Zheng, De-Liang Long, Leroy Cronin
Self-Templating and In Situ Assembly of a Cubic Cluster-of-Clusters Architecture Based on a {Mo 24 Fe 12 } Inorganic Macrocycle
published pages: 12703-12707, ISSN: 1433-7851, DOI: 10.1002/anie.201603298
Angewandte Chemie International Edition 55/41 2019-07-05
2017 Andreu Ruiz de la Oliva, Victor Sans, Haralampos N. Miras, De-Liang Long, Leroy Cronin
Coding the Assembly of Polyoxotungstates with a Programmable Reaction System
published pages: 5089-5095, ISSN: 0020-1669, DOI: 10.1021/acs.inorgchem.7b00206
Inorganic Chemistry 56/9 2019-07-05
2017 Mari Yoshida, Sabrina Galiñanes Reyes, Soichiro Tsuda, Takaaki Horinouchi, Chikara Furusawa, Leroy Cronin
Time-programmable drug dosing allows the manipulation, suppression and reversal of antibiotic drug resistance in vitro
published pages: 15589, ISSN: 2041-1723, DOI: 10.1038/ncomms15589
Nature Communications 8 2019-07-05
2017 Caihong Zhan, Christoph Busche, De-Liang Long, Pedro I. Molina, Ross S. Winter, Leroy Cronin
Encapsulation of a {Cu 16 } cluster containing four [Cu 4 O 4 ] cubanes within an isopolyoxometalate {W 44 } cluster
published pages: 7076-7079, ISSN: 1359-7345, DOI: 10.1039/C7CC03544F
Chemical Communications 53/52 2019-07-05
2017 Weimin Xuan, Robert Pow, De-Liang Long, Leroy Cronin
Exploring the Molecular Growth of Two Gigantic Half-Closed Polyoxometalate Clusters {Mo 180 } and {Mo 130 Ce 6 }
published pages: 9727-9731, ISSN: 1433-7851, DOI: 10.1002/anie.201702957
Angewandte Chemie International Edition 56/33 2019-07-05
2016 Masaru Fujibayashi, Yu-Fei Song, Leroy Cronin, Ryo Tsunashima
Exploring the solvent mediated assembly and redox activity of a POM–organic hybrid [Na(SO 3 ) 2 (PhPO 3 ) 4 MoV4MoVI14O 49 ] 5−
published pages: 8488-8492, ISSN: 1144-0546, DOI: 10.1039/C6NJ01774F
New Journal of Chemistry 40/10 2019-07-05
2016 Mercè Martin-Sabi, Ross Stuart Winter, Claire Lydon, Jamie M. Cameron, De-Liang Long, Leroy Cronin
Rearrangement of {α-P 2 W 15 } to {PW 6 } moieties during the assembly of transition-metal-linked polyoxometalate clusters
published pages: 919-921, ISSN: 1359-7345, DOI: 10.1039/C5CC08486E
Chemical Communications 52/5 2019-07-05
2017 Geoffrey J. T. Cooper, Andrew J. Surman, Jim McIver, Stephanie M. Colón-Santos, Piotr S. Gromski, Saskia Buchwald, Irene Suárez Marina, Leroy Cronin
Miller-Urey Spark-Discharge Experiments in the Deuterium World
published pages: 8079-8082, ISSN: 1433-7851, DOI: 10.1002/anie.201610837
Angewandte Chemie International Edition 56/28 2019-07-05
2018 Philip J. Kitson, Guillaume Marie, Jean-Patrick Francoia, Sergey S. Zalesskiy, Ralph C. Sigerson, Jennifer S. Mathieson, Leroy Cronin
Digitization of multistep organic synthesis in reactionware for on-demand pharmaceuticals
published pages: 314-319, ISSN: 0036-8075, DOI: 10.1126/science.aao3466
Science 359/6373 2019-07-05
2018 Mercè Martin-Sabi, Joaquín Soriano-López, Ross S. Winter, Jia-Jia Chen, Laia Vilà-Nadal, De-Liang Long, José Ramón Galán-Mascarós, Leroy Cronin
Redox tuning the Weakley-type polyoxometalate archetype for the oxygen evolution reaction
published pages: 208-213, ISSN: 2520-1158, DOI: 10.1038/s41929-018-0037-1
Nature Catalysis 1/3 2019-07-05
2018 Jian Chuan Ye, Jia Jia Chen, Ru Ming Yuan, Ding Rong Deng, Ming Sen Zheng, Leroy Cronin, Quan Feng Dong
Strategies to Explore and Develop Reversible Redox Reactions of Li–S in Electrode Architectures Using Silver-Polyoxometalate Clusters
published pages: 3134-3138, ISSN: 0002-7863, DOI: 10.1021/jacs.8b00411
Journal of the American Chemical Society 140/8 2019-07-05
2016 Yohei Takashima, Haralampos N. Miras, Stefan Glatzel, Leroy Cronin
Shrink wrapping redox-active crystals of polyoxometalate open frameworks with organic polymers via crystal induced polymerisation
published pages: 7794-7797, ISSN: 1359-7345, DOI: 10.1039/C6CC03031A
Chemical Communications 52/50 2019-07-05
2016 Victor Sans, Leroy Cronin
Towards dial-a-molecule by integrating continuous flow, analytics and self-optimisation
published pages: 2032-2043, ISSN: 0306-0012, DOI: 10.1039/C5CS00793C
Chemical Society Reviews 45/8 2019-07-05
2018 Harikleia Sartzi, De-Liang Long, Stephen Sproules, Leroy Cronin, Haralampos N. Miras
Directed Self-Assembly, Symmetry Breaking, and Electronic Modulation of Metal Oxide Clusters by Pyramidal Heteroanions
published pages: 4399-4411, ISSN: 0947-6539, DOI: 10.1002/chem.201705711
Chemistry - A European Journal 24/17 2019-07-05
2018 Niall Kirkaldy, Greig Chisholm, Jia-Jia Chen, Leroy Cronin
A practical, organic-mediated, hybrid electrolyser that decouples hydrogen production at high current densities
published pages: 1621-1626, ISSN: 2041-6520, DOI: 10.1039/C7SC05388F
Chemical Science 9/6 2019-07-05
2018 Laurie J. Points, James Ward Taylor, Jonathan Grizou, Kevin Donkers, Leroy Cronin
Artificial intelligence exploration of unstable protocells leads to predictable properties and discovery of collective behavior
published pages: 885-890, ISSN: 0027-8424, DOI: 10.1073/pnas.1711089115
Proceedings of the National Academy of Sciences 115/5 2019-07-05
2016 Hongying Zang, Andrew Surman, Deliang Long, Leroy Cronin, Haralampos N. Miras
Exploiting the equilibrium dynamics in the self-assembly of inorganic macrocycles based upon polyoxothiometalate building blocks
published pages: 9109-9112, ISSN: 1359-7345, DOI: 10.1039/C6CC01041E
Chemical Communications 52/58 2019-07-05
2016 Jamie M. Cameron, Laia Vilà-Nadal, Ross S. Winter, Fumichika Iijima, Juan Carlos Murillo, Antonio Rodríguez-Fortea, Hiroki Oshio, Josep M. Poblet, Leroy Cronin
Investigating the Transformations of Polyoxoanions Using Mass Spectrometry and Molecular Dynamics
published pages: 8765-8773, ISSN: 0002-7863, DOI: 10.1021/jacs.6b02245
Journal of the American Chemical Society 138/28 2019-07-05
2017 Vincenza Dragone, Victor Sans, Alon B. Henson, Jaroslaw M. Granda, Leroy Cronin
An autonomous organic reaction search engine for chemical reactivity
published pages: 15733, ISSN: 2041-1723, DOI: 10.1038/ncomms15733
Nature Communications 8 2019-07-05
2017 Thomas Boyd, Scott G. Mitchell, David Gabb, De-Liang Long, Yu-Fei Song, Leroy Cronin
POMzites: A Family of Zeolitic Polyoxometalate Frameworks from a Minimal Building Block Library
published pages: 5930-5938, ISSN: 0002-7863, DOI: 10.1021/jacs.7b01807
Journal of the American Chemical Society 139/16 2019-07-05
2017 Hong-Ying Zang, Jamie W. Purcell, De-Liang Long, Haralampos N. Miras, Leroy Cronin
Exploring structural complexity in the discovery and self-assembly of a family of nanoscale chalcoxides from {Se 8 Mo 36 } to {Se 26 Mo 68 }
published pages: 8585-8587, ISSN: 1359-7345, DOI: 10.1039/C7CC04398H
Chemical Communications 53/61 2019-07-05
2017 Vasilios Duros, Jonathan Grizou, Weimin Xuan, Zied Hosni, De-Liang Long, Haralampos N. Miras, Leroy Cronin
Human versus Robots in the Discovery and Crystallization of Gigantic Polyoxometalates
published pages: 10815-10820, ISSN: 1433-7851, DOI: 10.1002/anie.201705721
Angewandte Chemie International Edition 56/36 2019-07-05
2017 Jamie W. Purcell, Haralampos N. Miras, De-Liang Long, Panagiota Markopoulou, Leroy Cronin
Tellurite-Squarate Driven Assembly of a New Family of Nanoscale Clusters Based on (Mo 2 O 2 S 2 ) 2+
published pages: 9683-9689, ISSN: 0947-6539, DOI: 10.1002/chem.201701920
Chemistry - A European Journal 23/40 2019-07-05
2018 Jia-Jia Chen, Jian-Chuan Ye, Xia-Guang Zhang, Mark D. Symes, Shao-Cong Fan, De-Liang Long, Ming-Sen Zheng, De-Yin Wu, Leroy Cronin, Quan-Feng Dong
Design and Performance of Rechargeable Sodium Ion Batteries, and Symmetrical Li-Ion Batteries with Supercapacitor-Like Power Density Based upon Polyoxovanadates
published pages: 1701021, ISSN: 1614-6832, DOI: 10.1002/aenm.201701021
Advanced Energy Materials 8/6 2019-07-05
2016 Hong-Ying Zang, Jia-Jia Chen, De-Liang Long, Leroy Cronin, Haralampos N. Miras
Assembly of inorganic [Mo 2 S 2 O 2 ] 2+ panels connected by selenite anions to nanoscale chalcogenide–polyoxometalate clusters
published pages: 3798-3804, ISSN: 2041-6520, DOI: 10.1039/C5SC04944J
Chemical Science 7/6 2019-07-05

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