School of Chemistry

Dr Laia Vila-Nadal

  • Lecturer in Molecular Metal Oxide Chemistry (School of Chemistry)

telephone: 01413303454
email: Laia.Vila-Nadal@gla.systa-s.com

Chemistry, Room A4-38, Joesph Black Building

Import to contacts

ORCID iDhttps://orcid.org/0000-0002-7718-7227

Biography

Dr Laia Vilà-Nadal is a Lecturer in the School of Chemistry at University of Glasgow. She obtained her PhD in Chemistry in 2011 from Universitat Rovira i Virgili (Tarragona, Spain) under the supervision of Poblet and Rodríguez-Fortea, following training in Theoretical Chemistry and Computational Modelling (TCCM, 2007). Following postdoctoral research in the group of Lee Cronin at the University of Glasgow (2011–2015), she subsequently worked as group coordinator within the Cronin Group before establishing her independent research group and being appointed Lecturer in 2019.

With a background spanning biochemistry, theoretical chemistry, and materials science, her research combines computational and experimental approaches for the design of molecular metal oxides and hybrid biochemical-inorganic systems, with applications in catalysis, sustainable nitrogen fixation, redox chemistry, vibrational spectroscopy, and data-driven molecular discovery.

Talk to me about: bridging theory and experiment, molecular metal oxides, spectroscopy, catalysis, digital chemistry, and interdisciplinary science.

More information about the group, current research, publications, and opportunities can be found on the lvn-group.co.uk

 

 

Research interests

Our work combines quantum-chemical modelling, inverse design, and Bayesian analysis of spectroscopic data (IR, UV–vis, NMR) to understand and predict molecular behaviour. We also explore bio-derived systems, such as vanillin- and lignin-inspired molecules, as sustainable precursors for advanced materials. 

By integrating automation and computational data we aim to program the assembly of inorganic and hybrid systems, including bio-inspired catalysts for nitrogen fixation, within a closed-loop digital-experimental workflow.

We are always keen to hear from motivated researchers and students interested in computational chemistry, materials science, and digital molecular discovery.


Prospective PhD candidates, postdoctoral fellows, and visiting scholars with diverse backgrounds are encouraged to get in touch with Dr Laia Vilà-Nadal by email. For current openings and detailed information, please visit lvn-group.co.uk.

Selected publications:

Memory devices

  1. Nature, 2014, 515, 545–549. Doi: 10.1038/nature13951
  2. J. Phys. Chem. C., 2021, 125, 6, 3599–3610 Doi: 10.1021/acs.jpcc.0c11038
  3. J. Am. Chem. Soc., 2018, 140, 2595–2601. Doi: 10.1021/jacs.7b11982

Molecular metal oxides self-assembly and inverse design

  1. Int. J. Quantum Chem., 2021, 121, 5, e26493. (Perspective)  Doi:10.1002/qua.26493
  2. J. Am. Chem. Soc., 2018, 140, 9379–9382. Doi: 10.1021/jacs.8b05059
  3. Angew. Chem. Int. Ed., 2009, 48, 5452–5456. Doi: 10.1002/anie.200901348

Molecular metal oxides as porous materials

  1. Nat. Rev. Mat., 2017, 2, 17054. Doi: 10.1038/natrevmats.2017.54
  2. Angew. Chem. Int. Ed., 2019, 58, 17282–17286. Doi:10.1002/anie.201911170

Nitrogen activation and molecular metal oxides properties

  1. Front. Chem., 2021, 9, 1–7 (Perspective) Doi:10.3389/fchem.2021.742565
  2. Nat. Cat., 2018, 1, 208–213. Doi: 10.1038/s41929-018-0037-1
  3. J. Am. Chem. Soc., 2022, 144, 20, 8951–8960. Doi: 10.1021/jacs.1c10584

 

Research groups

Publications

List by: Type | Date

Jump to: 2026 | 2025 | 2024 | 2023 | 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008
Number of items: 47.

2026

Nicolaou, Michael, Senn, Hans M. ORCID logoORCID: https://orcid.org/0000-0001-8232-5957, Gibson, Emma ORCID logoORCID: https://orcid.org/0000-0002-7839-3786, Gonzalez Jimenez, Mario ORCID logoORCID: https://orcid.org/0000-0002-8853-0588 and Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2026) DFT meets Bayesian inference: creating a framework for the assignment of calculated vibrational frequencies. Digital Discovery, 5(2), pp. 592-602. (doi: 10.1039/D5DD00453E)

2025

Dixit, Ankit ORCID logoORCID: https://orcid.org/0000-0002-6653-6460, Ghosh, Ramesh ORCID logoORCID: https://orcid.org/0000-0001-9586-8061, JACOBS, JAKE, Kumar, Naveen ORCID logoORCID: https://orcid.org/0000-0002-4765-1789, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366, Paul, Douglas J. ORCID logoORCID: https://orcid.org/0000-0001-7402-8530 and Georgiev, Vihar ORCID logoORCID: https://orcid.org/0000-0001-6473-2508 (2025) Nanowire behavior under the influence of polyoxometalates: a comparative study of depletion and enhancement modes. Solid-State Electronics, 228, 109145. (doi: 10.1016/j.sse.2025.109145)

Lakhanpal, Vishal, Guillén-Soler, Melanie, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2025) Compression of molybdenum blue polyoxometalate cluster rings. Journal of the American Chemical Society, 147(12), pp. 10579-10586. (doi: 10.1021/jacs.5c00187) (PMID:40099841) (PMCID:PMC11951155)

2024

Jacobs, Jake, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Georgiev, Vihar ORCID logoORCID: https://orcid.org/0000-0001-6473-2508 (2024) Atomistic modeling of [W18O54(SeO3)2]4- polyoxometalates (POM) molecules in the presence of counter-cations. In: IEEE 24th International Conference on Nanotechnology (NANO), Gijon, Spain, 08-11 Jul 2024, pp. 141-145. ISBN 9798350386240 (doi: 10.1109/NANO61778.2024.10628858)

Thompson, Jake A. and Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2024) Computation of 31P NMR chemical shifts in Keggin−based lacunary polyoxotungstates. Dalton Transactions, 53(2), pp. 564-571. (doi: 10.1039/D3DT02694A) (PMID:38054391)

2023

Malcolm, Daniel and Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2023) Computational study into the effects of countercations on the [P₈W₄₈O₁₈₄]⁴⁰⁻ polyoxometalate wheel. ACS Organic and Inorganic Au, 3(5), pp. 274-282. (doi: 10.1021/acsorginorgau.3c00014)

Thompson, Jake A., González-Cabaleiro, Rebecca and Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2023) Reducing systematic uncertainty in computed redox potentials for aqueous transition-metal-substituted polyoxotungstates. Inorganic Chemistry, 62(31), pp. 12260-12271. (doi: 10.1021/acs.inorgchem.3c01115) (PMID:37489885)

2022

Malcolm, Daniel and Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2022) Transition metal oxide–based storage materials. In: Ruiz Rubio, Leire, Vilas Vilela, José Luis, Artetxe, Beñat and Gutiérrez-Zorrilla, Juan Manuel (eds.) Polyoxometalates: Advances, Properties, and Applications. Jenny Stanford Publishing: Singapore, pp. 243-274. ISBN 9789814968140 (doi: 10.1201/9781003277446-6)

Chen, J.-J. et al. (2022) Effective storage of electrons in water by the formation of highly reduced polyoxometalate clusters. Journal of the American Chemical Society, 144(20), pp. 8951-8960. (doi: 10.1021/jacs.1c10584) (PMID:35536652)

2021

González-Cabaleiro, Rebeca ORCID logoORCID: https://orcid.org/0000-0002-4000-5928, Thompson, Jake A. and Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2021) Looking for options to sustainably fixate nitrogen. Are molecular metal oxides catalysts a viable avenue? Frontiers in Chemistry, 9, 742565. (doi: 10.3389/fchem.2021.742565)

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2021) POMzites: a roadmap for inverse design in metal oxide chemistry. International Journal of Quantum Chemistry, 121(5), e26493. (doi: 10.1002/qua.26493)

Lapham, Paul, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508 (2021) Influence of the contact geometry and counterions on the current flow and charge transfer in polyoxometalate molecular junctions: a density functional theory study. Journal of Physical Chemistry C, 125(6), pp. 3599-3610. (doi: 10.1021/acs.jpcc.0c11038) (PMID:33633816) (PMCID:PMC7899180)

2020

Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Miras, Haralampos N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173 (2020) Coordination chemistry in polyoxometalates and metal clusters. In: Constable, E., Parkin, G. and Que, L. (eds.) Comprehensive Coordination Chemistry III. Series: Chemistry molecular sciences and engineering. Academic Press: Burlington. (Accepted for Publication)

2019

Zhan, Cai-Hong, Zheng, Qi, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Vilà‐Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2019) Controlling the reactivity of the [P8W48O184]40– inorganic ring and its assembly into POMZite inorganic frameworks with silver ions. Angewandte Chemie (International Edition), 131(48), pp. 17442-6. (doi: 10.1002/anie.201911170) (PMID:31538679) (PMCID:PMC6900112)

Janusson, Eric ORCID logoORCID: https://orcid.org/0000-0002-3207-7067, de Kler, Noël, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2019) Synthesis of polyoxometalate clusters using carbohydrates as reducing agents leads to isomer-selection. Chemical Communications, 55(41), pp. 5797-5800. (doi: 10.1039/C9CC02361E) (PMID:31041957)

Mathew, Paven Thomas, Fang, Fengzhou, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Cronin, Lee ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Georgiev, Vihar ORCID logoORCID: https://orcid.org/0000-0001-6473-2508 (2019) First Principle Simulations of Current Flow in Inorganic Molecules: Polyoxometalates (POMs). In: 2019 Joint International EUROSOI Workshop and International Conference on Ultimate Integration on Silicon (EUROSOI-ULIS), Grenoble, France, 01-03 Apr 2019, ISBN 9781728116587 (doi: 10.1109/EUROSOI-ULIS45800.2019.9041869)

2018

Miras, Haralampos N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2018) Correction: Polyoxometalate based open-frameworks (POM-OFs). Chemical Society Reviews, 47(17), p. 6890. (doi: 10.1039/c8cs90091d) (PMID:30067251)

Christie, Lorna G. ORCID logoORCID: https://orcid.org/0000-0003-2686-335X, Asche, Silke, Mathieson, Jennifer S., Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2018) Investigating the formation of giant {Pd72}Prop and {Pd84}Gly macrocycles using NMR, HPLC and mass spectrometry. Journal of the American Chemical Society, 140(30), pp. 9379-9382. (doi: 10.1021/jacs.8b05059) (PMID:30005574)

Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 (2018) Molecular Based Flash Cell for Low Power Flash Application: Optimization and Variability Evaluation. In: IEEE 12th Nanotechnology Materials and Devices Conference (NMDC 2017), Singapore, 2-4 Oct 2017, pp. 64-65. ISBN 9781538627723 (doi: 10.1109/NMDC.2017.8350505)

Martin-Sabi, Mercè, Soriano-López, Joaquín, Winter, Ross S., Chen, Jia-Jia, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Galán-Mascarós, José Ramón and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2018) Redox tuning the Weakley-type polyoxometalate archetype for the oxygen evolution reaction. Nature Catalysis, 1(3), pp. 208-213. (doi: 10.1038/s41929-018-0037-1) (PMID:30079397) (PMCID:PMC6075698)

Zheng, Qi, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Lang, Zhongling, Chen, Jia-jia, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Mathieson, Jennifer S., Poblet, Josep M. and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2018) Self-sorting of heteroanions in the assembly of cross-shaped polyoxometalate clusters. Journal of the American Chemical Society, 140(7), pp. 2595-2601. (doi: 10.1021/jacs.7b11982) (PMID:29359931) (PMCID:PMC6075695)

2017

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2017) Design and synthesis of polyoxometalate-framework materials from cluster precursors. Nature Reviews Materials, 2, 17054. (doi: 10.1038/natrevmats.2017.54)

Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2017) Self-assembly of molecular metal oxide nanoclusters. In: Dronskowski, R., Kikkawa, S. and Stein, A. (eds.) Handbook of Solid State Chemistry. Wiley: Weinheim. ISBN 9783527325870 (doi: 10.1002/9783527691036.hsscvol4003)

Zhan, C. et al. (2017) A metamorphic inorganic framework that can be switched between eight single-crystalline states. Nature Communications, 8, 14185. (doi: 10.1038/ncomms14185) (PMID:28194009) (PMCID:PMC5316803)

2016

Cameron, Jamie M., Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Winter, Ross S., Iijima, Fumichika, Murillo, Juan Carlos, Rodríguez-Fortea, Antonio, Oshio, Hiroki, Poblet, Josep M. and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2016) Investigating the transformations of polyoxoanions using mass spectrometry and molecular dynamics. Journal of the American Chemical Society, 138(28), pp. 8765-8773. (doi: 10.1021/jacs.6b02245) (PMID:27321042)

2015

Sartzi, Harikleia, Miras, Haralampos N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Long, De Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2015) Trapping the δ isomer of the polyoxometalate-based Keggin cluster with a tripodal ligand. Angewandte Chemie (International Edition), 54(51), pp. 15488-15492. (doi: 10.1002/anie.201505377) (PMID:26511859)

Zheng, Qi, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Mathieson, Jennifer S., Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2015) Following the reaction of heteroanions inside a {W18O56} polyoxometalate nanocage by NMR spectroscopy and mass spectrometry. Angewandte Chemie (International Edition), 127(27), pp. 8006-8010. (doi: 10.1002/ange.201502295)

Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Amoroso, Salvatore Maria, Ali, Talib Mahmood, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 (2015) Comparison between bulk and FDSOI POM flash cell: a multiscale simulation study. IEEE Transactions on Electron Devices, 62(2), pp. 680-684. (doi: 10.1109/TED.2014.2378378)

2014

Busche, C. et al. (2014) Design and fabrication of memory devices based on nanoscale polyoxometalate clusters. Nature, 515(7528), pp. 545-549. (doi: 10.1038/nature13951) (PMID:25409147)

Miras, Haralampos N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2014) Polyoxometalate based open-frameworks (POM-OFs). Chemical Society Reviews, 43(16), pp. 5679-5699. (doi: 10.1039/c4cs00097h) (PMID:25005364)

Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Markov, Stanislav, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 (2014) Optimization and evaluation of variability in the programming window of a flash cell with molecular metal-oxide storage. IEEE Transactions on Electron Devices, 61(6), pp. 2019-2026. (doi: 10.1109/TED.2014.2315520)

Cameron, Jamie M., Gao, Jing, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2014) Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles. Chemical Communications, 50(17), pp. 2155-2157. (doi: 10.1039/C3CC49293A)

Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Amoroso, Salvatore M., Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 (2014) FDSOI Molecular Flash Cell with Reduced Variability for Low Power Flash Applications. In: 44th European Solid-State Device Research Conference (ESSDERC), Venice, Italy, 22-26 Sep 2014, pp. 353-356. ISBN 9781479943760 (doi: 10.1109/ESSDERC.2014.6948833)

2013

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Mitchell, Scott G., Markov, Stanislav, Busche, Christoph ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Georgiev, Vihar ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2013) Towards polyoxometalate-cluster-based nano-electronics. Chemistry: A European Journal, 19(49), pp. 16502-16511. (doi: 10.1002/chem.201301631)

Vilà-Nadal, L. ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Peuntinger, K., Busche, C. ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Yan, J., Lüders, D., Long, D. ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Poblet, J.M., Guldi, D.M. and Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2013) Polyoxometalate {W18O56XO6} clusters with embedded redox-active main-group templates as localized inner-cluster radicals. Angewandte Chemie (International Edition), 52(37), pp. 9695-9699. (doi: 10.1002/anie.201303126)

Georgiev, V. P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Markov, S., Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Asenov, A. ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 and Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2013) Molecular-Metal-Oxide-nanoelectronicS (M-MOS): Achieving the Molecular Limit. In: 16th International Workshop on Computational Electronics, Nara, Japan, 4-7 June 2013, ISBN 9783901578267

Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Markov, Stanislav, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Busche, Cristoph, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 (2013) Multi-scale computational framework for the evaluation of variability in the programing window of a flash cell with molecular storage. In: 2013 Proceedings of the European Solid-State Device Research Conference (ESSDERC), Bucharest, Romania, 16-20 Sep 2013, pp. 230-233. (doi: 10.1109/ESSDERC.2013.6818861)

2012

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Romo, Susanna, López, Xavier and Poblet, Josep M. (2012) Structural and electronic features of Wells-Dawson polyoxometalates. In: Hill, Craig and Musaev, Djamaladdin G. (eds.) Complexity in Chemistry and Beyond: Interplay Theory and Experiment. Series: NATO Science for Peace and Security Series B: Physics and Biophysics. Springer Netherlands: Dordrecht, pp. 171-183. ISBN 9789400755475 (doi: 10.1007/978-94-007-5548-2_10)

Vilá-Nadal, L. ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Mitchell, S.G., Long, D.L. ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Rodríguez-Fortea, A., López, X., Poblet, J.M. and Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2012) Exploring the rotational isomerism in non-classical Wells–Dawson anions {W18X}:: a combined theoretical and mass spectrometry study. Dalton Transactions, 41(8), pp. 2264-2271. (doi: 10.1039/c2dt11919f)

2011

Vila-Nadal, L. ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Wilson, E.F., Miras, H.N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Rodriguez-Fortea, A., Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Poblet, J.M. (2011) Combined theoretical and mass spectrometry study of the formation-fragmentation of small polyoxomolybdates. Inorganic Chemistry, 50(16), pp. 7811-7819. (doi: 10.1021/ic200969h)

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Mitchell, S.G., Rodríguez-Fortea, A., Miras, H.N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Poblet, J.M. (2011) Connecting theory with experiment to understand the initial nucleation steps of heteropolyoxometalate clusters. Physical Chemistry Chemical Physics, 13(45), pp. 20136-20145. (doi: 10.1039/c1cp21209e)

2010

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Sarasa, José Pedro, Rodríguez-Fortea, Antoni, Igual, Joan, Kazansky, Leonid P. and Poblet, Josep M. (2010) Towards the accurate calculation of 183W NMR chemical shifts in polyoxometalates: the relevance of the structure. Chemistry: An Asian Journal, 5(1), pp. 97-104. (doi: 10.1002/asia.200900263)

López, Xavier, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Aparicio-Anglès, Xavier and Poblet, Josep M. (2010) Theoretical view on the origin and implications of structural distortions in polyoxometalates. Physics Procedia, 8, pp. 94-103. (doi: 10.1016/j.phpro.2010.10.018)

McGlone, T., Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Miras, H.N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Long, D.L. ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Poblet, J.M. and Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2010) Assembly of titanium embedded polyoxometalates with unprecedented structural features. Dalton Transactions, 39(48), pp. 11599-11604. (doi: 10.1039/c0dt01327g)

2009

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Rodríguez-Fortea, Antonio and Poblet, Josep M. (2009) Theoretical analysis of the possible intermediates in the formation of [W6O19]2–. European Journal of Inorganic Chemistry, 2009(34), pp. 5125-5133. (doi: 10.1002/ejic.200900714)

Vilá-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Rodriguez-Fortea, A., Yan, L.K., Wilson, E.F., Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Poblet, J.M. (2009) Nucleation mechanisms of molecular oxides: a study of the assembly-dissassembly of [W6O19]2- by theory and mass spectrometry. Angewandte Chemie (International Edition), 48(30), pp. 5452-5456. (doi: 10.1002/anie.200901348)

2008

Rodríguez-Fortea, Antonio, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Poblet, Josep M. (2008) Hydration of hydrogentungstate anions at different pH conditions: a Car−Parrinello molecular dynamics study. Inorganic Chemistry, 47(17), pp. 7745-7750. (doi: 10.1021/ic8007766)

This list was generated on Wed May 20 21:09:06 2026 BST.
Jump to: Articles | Book Sections | Conference Proceedings
Number of items: 47.

Articles

Nicolaou, Michael, Senn, Hans M. ORCID logoORCID: https://orcid.org/0000-0001-8232-5957, Gibson, Emma ORCID logoORCID: https://orcid.org/0000-0002-7839-3786, Gonzalez Jimenez, Mario ORCID logoORCID: https://orcid.org/0000-0002-8853-0588 and Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2026) DFT meets Bayesian inference: creating a framework for the assignment of calculated vibrational frequencies. Digital Discovery, 5(2), pp. 592-602. (doi: 10.1039/D5DD00453E)

Dixit, Ankit ORCID logoORCID: https://orcid.org/0000-0002-6653-6460, Ghosh, Ramesh ORCID logoORCID: https://orcid.org/0000-0001-9586-8061, JACOBS, JAKE, Kumar, Naveen ORCID logoORCID: https://orcid.org/0000-0002-4765-1789, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366, Paul, Douglas J. ORCID logoORCID: https://orcid.org/0000-0001-7402-8530 and Georgiev, Vihar ORCID logoORCID: https://orcid.org/0000-0001-6473-2508 (2025) Nanowire behavior under the influence of polyoxometalates: a comparative study of depletion and enhancement modes. Solid-State Electronics, 228, 109145. (doi: 10.1016/j.sse.2025.109145)

Lakhanpal, Vishal, Guillén-Soler, Melanie, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2025) Compression of molybdenum blue polyoxometalate cluster rings. Journal of the American Chemical Society, 147(12), pp. 10579-10586. (doi: 10.1021/jacs.5c00187) (PMID:40099841) (PMCID:PMC11951155)

Thompson, Jake A. and Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2024) Computation of 31P NMR chemical shifts in Keggin−based lacunary polyoxotungstates. Dalton Transactions, 53(2), pp. 564-571. (doi: 10.1039/D3DT02694A) (PMID:38054391)

Malcolm, Daniel and Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2023) Computational study into the effects of countercations on the [P₈W₄₈O₁₈₄]⁴⁰⁻ polyoxometalate wheel. ACS Organic and Inorganic Au, 3(5), pp. 274-282. (doi: 10.1021/acsorginorgau.3c00014)

Thompson, Jake A., González-Cabaleiro, Rebecca and Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2023) Reducing systematic uncertainty in computed redox potentials for aqueous transition-metal-substituted polyoxotungstates. Inorganic Chemistry, 62(31), pp. 12260-12271. (doi: 10.1021/acs.inorgchem.3c01115) (PMID:37489885)

Chen, J.-J. et al. (2022) Effective storage of electrons in water by the formation of highly reduced polyoxometalate clusters. Journal of the American Chemical Society, 144(20), pp. 8951-8960. (doi: 10.1021/jacs.1c10584) (PMID:35536652)

González-Cabaleiro, Rebeca ORCID logoORCID: https://orcid.org/0000-0002-4000-5928, Thompson, Jake A. and Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2021) Looking for options to sustainably fixate nitrogen. Are molecular metal oxides catalysts a viable avenue? Frontiers in Chemistry, 9, 742565. (doi: 10.3389/fchem.2021.742565)

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2021) POMzites: a roadmap for inverse design in metal oxide chemistry. International Journal of Quantum Chemistry, 121(5), e26493. (doi: 10.1002/qua.26493)

Lapham, Paul, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508 (2021) Influence of the contact geometry and counterions on the current flow and charge transfer in polyoxometalate molecular junctions: a density functional theory study. Journal of Physical Chemistry C, 125(6), pp. 3599-3610. (doi: 10.1021/acs.jpcc.0c11038) (PMID:33633816) (PMCID:PMC7899180)

Zhan, Cai-Hong, Zheng, Qi, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Vilà‐Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2019) Controlling the reactivity of the [P8W48O184]40– inorganic ring and its assembly into POMZite inorganic frameworks with silver ions. Angewandte Chemie (International Edition), 131(48), pp. 17442-6. (doi: 10.1002/anie.201911170) (PMID:31538679) (PMCID:PMC6900112)

Janusson, Eric ORCID logoORCID: https://orcid.org/0000-0002-3207-7067, de Kler, Noël, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2019) Synthesis of polyoxometalate clusters using carbohydrates as reducing agents leads to isomer-selection. Chemical Communications, 55(41), pp. 5797-5800. (doi: 10.1039/C9CC02361E) (PMID:31041957)

Miras, Haralampos N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2018) Correction: Polyoxometalate based open-frameworks (POM-OFs). Chemical Society Reviews, 47(17), p. 6890. (doi: 10.1039/c8cs90091d) (PMID:30067251)

Christie, Lorna G. ORCID logoORCID: https://orcid.org/0000-0003-2686-335X, Asche, Silke, Mathieson, Jennifer S., Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2018) Investigating the formation of giant {Pd72}Prop and {Pd84}Gly macrocycles using NMR, HPLC and mass spectrometry. Journal of the American Chemical Society, 140(30), pp. 9379-9382. (doi: 10.1021/jacs.8b05059) (PMID:30005574)

Martin-Sabi, Mercè, Soriano-López, Joaquín, Winter, Ross S., Chen, Jia-Jia, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Galán-Mascarós, José Ramón and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2018) Redox tuning the Weakley-type polyoxometalate archetype for the oxygen evolution reaction. Nature Catalysis, 1(3), pp. 208-213. (doi: 10.1038/s41929-018-0037-1) (PMID:30079397) (PMCID:PMC6075698)

Zheng, Qi, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Lang, Zhongling, Chen, Jia-jia, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Mathieson, Jennifer S., Poblet, Josep M. and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2018) Self-sorting of heteroanions in the assembly of cross-shaped polyoxometalate clusters. Journal of the American Chemical Society, 140(7), pp. 2595-2601. (doi: 10.1021/jacs.7b11982) (PMID:29359931) (PMCID:PMC6075695)

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2017) Design and synthesis of polyoxometalate-framework materials from cluster precursors. Nature Reviews Materials, 2, 17054. (doi: 10.1038/natrevmats.2017.54)

Zhan, C. et al. (2017) A metamorphic inorganic framework that can be switched between eight single-crystalline states. Nature Communications, 8, 14185. (doi: 10.1038/ncomms14185) (PMID:28194009) (PMCID:PMC5316803)

Cameron, Jamie M., Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Winter, Ross S., Iijima, Fumichika, Murillo, Juan Carlos, Rodríguez-Fortea, Antonio, Oshio, Hiroki, Poblet, Josep M. and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2016) Investigating the transformations of polyoxoanions using mass spectrometry and molecular dynamics. Journal of the American Chemical Society, 138(28), pp. 8765-8773. (doi: 10.1021/jacs.6b02245) (PMID:27321042)

Sartzi, Harikleia, Miras, Haralampos N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Long, De Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2015) Trapping the δ isomer of the polyoxometalate-based Keggin cluster with a tripodal ligand. Angewandte Chemie (International Edition), 54(51), pp. 15488-15492. (doi: 10.1002/anie.201505377) (PMID:26511859)

Zheng, Qi, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Mathieson, Jennifer S., Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2015) Following the reaction of heteroanions inside a {W18O56} polyoxometalate nanocage by NMR spectroscopy and mass spectrometry. Angewandte Chemie (International Edition), 127(27), pp. 8006-8010. (doi: 10.1002/ange.201502295)

Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Amoroso, Salvatore Maria, Ali, Talib Mahmood, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 (2015) Comparison between bulk and FDSOI POM flash cell: a multiscale simulation study. IEEE Transactions on Electron Devices, 62(2), pp. 680-684. (doi: 10.1109/TED.2014.2378378)

Busche, C. et al. (2014) Design and fabrication of memory devices based on nanoscale polyoxometalate clusters. Nature, 515(7528), pp. 545-549. (doi: 10.1038/nature13951) (PMID:25409147)

Miras, Haralampos N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2014) Polyoxometalate based open-frameworks (POM-OFs). Chemical Society Reviews, 43(16), pp. 5679-5699. (doi: 10.1039/c4cs00097h) (PMID:25005364)

Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Markov, Stanislav, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 (2014) Optimization and evaluation of variability in the programming window of a flash cell with molecular metal-oxide storage. IEEE Transactions on Electron Devices, 61(6), pp. 2019-2026. (doi: 10.1109/TED.2014.2315520)

Cameron, Jamie M., Gao, Jing, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID logoORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2014) Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles. Chemical Communications, 50(17), pp. 2155-2157. (doi: 10.1039/C3CC49293A)

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Mitchell, Scott G., Markov, Stanislav, Busche, Christoph ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Georgiev, Vihar ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2013) Towards polyoxometalate-cluster-based nano-electronics. Chemistry: A European Journal, 19(49), pp. 16502-16511. (doi: 10.1002/chem.201301631)

Vilà-Nadal, L. ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Peuntinger, K., Busche, C. ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Yan, J., Lüders, D., Long, D. ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Poblet, J.M., Guldi, D.M. and Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2013) Polyoxometalate {W18O56XO6} clusters with embedded redox-active main-group templates as localized inner-cluster radicals. Angewandte Chemie (International Edition), 52(37), pp. 9695-9699. (doi: 10.1002/anie.201303126)

Vilá-Nadal, L. ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Mitchell, S.G., Long, D.L. ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Rodríguez-Fortea, A., López, X., Poblet, J.M. and Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2012) Exploring the rotational isomerism in non-classical Wells–Dawson anions {W18X}:: a combined theoretical and mass spectrometry study. Dalton Transactions, 41(8), pp. 2264-2271. (doi: 10.1039/c2dt11919f)

Vila-Nadal, L. ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Wilson, E.F., Miras, H.N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Rodriguez-Fortea, A., Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Poblet, J.M. (2011) Combined theoretical and mass spectrometry study of the formation-fragmentation of small polyoxomolybdates. Inorganic Chemistry, 50(16), pp. 7811-7819. (doi: 10.1021/ic200969h)

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Mitchell, S.G., Rodríguez-Fortea, A., Miras, H.N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Poblet, J.M. (2011) Connecting theory with experiment to understand the initial nucleation steps of heteropolyoxometalate clusters. Physical Chemistry Chemical Physics, 13(45), pp. 20136-20145. (doi: 10.1039/c1cp21209e)

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Sarasa, José Pedro, Rodríguez-Fortea, Antoni, Igual, Joan, Kazansky, Leonid P. and Poblet, Josep M. (2010) Towards the accurate calculation of 183W NMR chemical shifts in polyoxometalates: the relevance of the structure. Chemistry: An Asian Journal, 5(1), pp. 97-104. (doi: 10.1002/asia.200900263)

López, Xavier, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Aparicio-Anglès, Xavier and Poblet, Josep M. (2010) Theoretical view on the origin and implications of structural distortions in polyoxometalates. Physics Procedia, 8, pp. 94-103. (doi: 10.1016/j.phpro.2010.10.018)

McGlone, T., Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Miras, H.N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173, Long, D.L. ORCID logoORCID: https://orcid.org/0000-0003-3241-2379, Poblet, J.M. and Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2010) Assembly of titanium embedded polyoxometalates with unprecedented structural features. Dalton Transactions, 39(48), pp. 11599-11604. (doi: 10.1039/c0dt01327g)

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Rodríguez-Fortea, Antonio and Poblet, Josep M. (2009) Theoretical analysis of the possible intermediates in the formation of [W6O19]2–. European Journal of Inorganic Chemistry, 2009(34), pp. 5125-5133. (doi: 10.1002/ejic.200900714)

Vilá-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Rodriguez-Fortea, A., Yan, L.K., Wilson, E.F., Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Poblet, J.M. (2009) Nucleation mechanisms of molecular oxides: a study of the assembly-dissassembly of [W6O19]2- by theory and mass spectrometry. Angewandte Chemie (International Edition), 48(30), pp. 5452-5456. (doi: 10.1002/anie.200901348)

Rodríguez-Fortea, Antonio, Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Poblet, Josep M. (2008) Hydration of hydrogentungstate anions at different pH conditions: a Car−Parrinello molecular dynamics study. Inorganic Chemistry, 47(17), pp. 7745-7750. (doi: 10.1021/ic8007766)

Book Sections

Malcolm, Daniel and Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 (2022) Transition metal oxide–based storage materials. In: Ruiz Rubio, Leire, Vilas Vilela, José Luis, Artetxe, Beñat and Gutiérrez-Zorrilla, Juan Manuel (eds.) Polyoxometalates: Advances, Properties, and Applications. Jenny Stanford Publishing: Singapore, pp. 243-274. ISBN 9789814968140 (doi: 10.1201/9781003277446-6)

Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Miras, Haralampos N. ORCID logoORCID: https://orcid.org/0000-0002-0086-5173 (2020) Coordination chemistry in polyoxometalates and metal clusters. In: Constable, E., Parkin, G. and Que, L. (eds.) Comprehensive Coordination Chemistry III. Series: Chemistry molecular sciences and engineering. Academic Press: Burlington. (Accepted for Publication)

Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2017) Self-assembly of molecular metal oxide nanoclusters. In: Dronskowski, R., Kikkawa, S. and Stein, A. (eds.) Handbook of Solid State Chemistry. Wiley: Weinheim. ISBN 9783527325870 (doi: 10.1002/9783527691036.hsscvol4003)

Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Romo, Susanna, López, Xavier and Poblet, Josep M. (2012) Structural and electronic features of Wells-Dawson polyoxometalates. In: Hill, Craig and Musaev, Djamaladdin G. (eds.) Complexity in Chemistry and Beyond: Interplay Theory and Experiment. Series: NATO Science for Peace and Security Series B: Physics and Biophysics. Springer Netherlands: Dordrecht, pp. 171-183. ISBN 9789400755475 (doi: 10.1007/978-94-007-5548-2_10)

Conference Proceedings

Jacobs, Jake, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227 and Georgiev, Vihar ORCID logoORCID: https://orcid.org/0000-0001-6473-2508 (2024) Atomistic modeling of [W18O54(SeO3)2]4- polyoxometalates (POM) molecules in the presence of counter-cations. In: IEEE 24th International Conference on Nanotechnology (NANO), Gijon, Spain, 08-11 Jul 2024, pp. 141-145. ISBN 9798350386240 (doi: 10.1109/NANO61778.2024.10628858)

Mathew, Paven Thomas, Fang, Fengzhou, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Cronin, Lee ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Georgiev, Vihar ORCID logoORCID: https://orcid.org/0000-0001-6473-2508 (2019) First Principle Simulations of Current Flow in Inorganic Molecules: Polyoxometalates (POMs). In: 2019 Joint International EUROSOI Workshop and International Conference on Ultimate Integration on Silicon (EUROSOI-ULIS), Grenoble, France, 01-03 Apr 2019, ISBN 9781728116587 (doi: 10.1109/EUROSOI-ULIS45800.2019.9041869)

Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 (2018) Molecular Based Flash Cell for Low Power Flash Application: Optimization and Variability Evaluation. In: IEEE 12th Nanotechnology Materials and Devices Conference (NMDC 2017), Singapore, 2-4 Oct 2017, pp. 64-65. ISBN 9781538627723 (doi: 10.1109/NMDC.2017.8350505)

Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Amoroso, Salvatore M., Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID logoORCID: https://orcid.org/0000-0002-3493-2020, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 (2014) FDSOI Molecular Flash Cell with Reduced Variability for Low Power Flash Applications. In: 44th European Solid-State Device Research Conference (ESSDERC), Venice, Italy, 22-26 Sep 2014, pp. 353-356. ISBN 9781479943760 (doi: 10.1109/ESSDERC.2014.6948833)

Georgiev, V. P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Markov, S., Vilà-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Asenov, A. ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 and Cronin, L. ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 (2013) Molecular-Metal-Oxide-nanoelectronicS (M-MOS): Achieving the Molecular Limit. In: 16th International Workshop on Computational Electronics, Nara, Japan, 4-7 June 2013, ISBN 9783901578267

Georgiev, Vihar P. ORCID logoORCID: https://orcid.org/0000-0001-6473-2508, Markov, Stanislav, Vila-Nadal, Laia ORCID logoORCID: https://orcid.org/0000-0002-7718-7227, Busche, Cristoph, Cronin, Leroy ORCID logoORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID logoORCID: https://orcid.org/0000-0002-9567-6366 (2013) Multi-scale computational framework for the evaluation of variability in the programing window of a flash cell with molecular storage. In: 2013 Proceedings of the European Solid-State Device Research Conference (ESSDERC), Bucharest, Romania, 16-20 Sep 2013, pp. 230-233. (doi: 10.1109/ESSDERC.2013.6818861)

This list was generated on Wed May 20 21:09:06 2026 BST.

Grants

Over £3 million in collaborative and independent research funding since 2019, supporting projects across computational chemistry, molecular materials, and digital discovery.

Current Projects:

  • High-Value Chemicals from Lignocellulosic Biomass (2022 – 2026)
    PhD project on lignin valorisation and sustainable molecular materials, co-supervised with Dr Emma Gibson, supported through an EPSRC DTP scholarship.

Previous Independent & Collaborative Awards:

  • ECR Capital Award (UR3 and Shadow Modular Grasper), UofG- EPSRC -2019. Co-I with Dr Gerardo Aragon-Camarasa (PI) - Award: £45k
  • CHEMIFY: A System to Produce Universal Digital Chemical Synthesis EPSRC – EP/S030603/1; 09/2019 – 08/2022. Co-I with Prof Lee Cronin (PI), Dr Phil Kitson (Co-I), and Dr Geoff Cooper (Co-I) - Award: £1.1 M
  • Integrated Discovery Chemputer Toward Addiction Free Opiates. US National Institutes of Health (NIH), National Center for Advancing Translational Sciences (NCATS) ASPIRE Challenge 5. Part of the team with Prof Lee Cronin (PI). Award: $0.5M NIH
  • UofG Reinvigorating Research Call, 01/2022 – 06/2022  Dr. Vilà-Nadal (PI) - Award: £31 k
  • CoSE Rewards for Excellence, 2021, ECDP program Dr. Vilà-Nadal (PI) - Award: £6.5 k
  • ScotCHEM ECR equipment funding call 2022, link Dr. Vilà-Nadal (PI) - Award: £10 k
  • Studentships Supervised (EPSRC DTP): Each fully funded PhD represents an investment of ~£100k, supporting training, research excellence, and future leadership capacity.
    • Nitrogen fixation with metal oxides. link EPSRC DTP funding received for Jake Thompson PhD Scolarship. (2020-2024)
    • Metal Oxides by Design. link EPSRC DTP funding received for Daniel Malcolm PhD Scolarship.  (2020-2024)
  • Undergraduate Summer Research: Every summer, the LVN-Group welcomes motivated undergraduates for 6–12 week research placements, offering hands-on experience in computational and materials chemistry. These short, focused projects—often supported through EPSRC or Carnegie Trust schemes—provide students with their first taste of independent research and have led several participants to continue into MSc or PhD study. They are typically valued at £3–4k each. 

Supervision

Looking Ahead

The LVN-Group is developing new proposals that integrate  molecular design, bio-inspired catalysis, and automated synthesis to create a digitally integrated, sustainable approach to materials discovery.
Collaborations with academic and industrial partners who share this ambition are warmly welcomed.

Learn more at lvn-group.co.uk

Dr Laia Vilà-Nadal contributes to the supervision of interdisciplinary projects spanning molecular qubits, metal oxide self-assembly, flexible devices, lignin valorisation, machine learning for peptide-drug evolution, and algorithm-assisted molecular discovery.

Collaborative supervision

  • Gangadharan, Jishnu — Molecular Clock-Protected Qubits: Designing Lanthanoid Qubits Invisible to Magnetic Noise.
  • Lakhanpal, Vishal — Exploring the self-assembly and self-organisation of metal oxide clusters aiming for new functions and architectures.
  • MacDonald, Connor — Prediction and testing of self-assembled aggregates for flexible devices.
  • Nicolaou, Michael — Catalytic Oxidation of Lignin to Vanillin using metal oxides.
  • Xu, Ziyao n/a
  • Zeb, Sehr — Developing machine learning models for the evolution of new peptide-drug.
  • Zhang, Luokun — Algorithm-assisted discovery within micro-reactors.

Dr Vilà-Nadal has supervised postdoctoral researchers, research scientists, and PhD, MSc and BSc final-year projects, as well as undergraduate summer research internships (6–12 weeks), supporting researchers from their first projects to independent academic and industrial careers.

PhD thesis directed as principal supervisor

  1. Thompson, Jake A. (2024) Using theoretical chemistry to model the redox properties of polyoxometalates and their potential as ammonia synthesis catalysts. PhD thesis, University of Glasgow.  
  2. Malcolm, Daniel (2024) Improving accuracy of polyoxometalate computational models. PhD thesis, University of Glasgow.

Her projects span molecular self-assembly, redox chemistry, and digital molecular design, with former students and PDRAs now holding postdoctoral, research scientist, and industry positions in the UK and internationally.

More details: lvn-group.co.uk/alumi/

Teaching

Accolades:

  • 2022 Nominated for a Student Teaching Award, in the category of Best College Teacher in the College of Science and Engineering
  • 2021 Completed 60 credits on PGCAP and recognition as a UofG RET Fellow (Recognising Excellence in Teaching). 

Academic Year 2025-26

Teaching:

  • LEVEL 1: Chemistry lectures in the SCIENCE FUNDAMENTALS-1X CHEM1002—6 (x2) Lecture series 
  • LEVEL 2: Inorganic Tutorials 
  • LEVEL 3:
    • Main Group Chemistry (I2) - 8 Lecture Series 
    • Inorganic Tutorials CHEM3
  • Academic demonstrator in Synthesis Labs (Levels 1-3)

Executive and Administrative Roles:

  • LEVEL 3: Inorganic Chemistry Lab Head
  • LEVEL 2: Deputy Class Head 
  • LEVEL 5: Essay co-ordinator for the MSci and PGTs in the S5 Frontiers component of the Frontiers for the CHEM 3M cohort Frontiers of Chemistry
  • Advisor of Studies

Additional information

Research recognition

  • Featured in the Digital Discovery “Emerging Investigators 2025” collection (2026). RSC profile article
  • Research selected for inside back cover artwork in Digital Discovery, 2026, 5, 959. Inside back cover

Editorial and community roles

Research funding, peer review, and external examining

  • EPSRC Peer Review College. Since 2024
  • UKRI Future Leaders Fellowships (FLF) Peer Review College (PRC). Since 2021
  • International expert for the The research Foundation Flanders FWO Review College (Belgium). Since 2025
  • International expert for the Slovak Research and Development Agency (SRDA). Since 2024
  • International expert for National Science Centre, Poland (NCN), participating in evaluation panels for various calls. Since 2024.
  • European Research Council (ERC) for the evaluation of proposals. ERC-2022-STG - PE11 - Panel Member.
  • International expert for the European Science Foundation (ESF) the Research Foundation Flanders (Belgium). Since 2024 
  • International expert for Deutsche Forschungsgemeinschaft (DFG, German Research Foundation). Since 2021 
  • International expert for Agencia Estatal de Investigacion (AEI) (Spain). Since 2019. Panel Member. 
  • External Examiner for MSc and PhD theses at the University of Nottingham, University of the Basque Country (UPV/EHU), and Universitat Rovira i Virgili (URV) (2023–2025) 

 


Dr Laia Vila-Nadal on Bluesky Dr Laia Vila-Nadal on Twitter