Dr Laia Vila-Nadal

Lecturer in Molecular Metal Oxide Chemistry (School of Chemistry)

telephone: 01413303454
email: Laia.Vila-Nadal@glasgow.ac.uk

Chemistry, Room A4-38, Joesph Black Building

Biography

Learn more about the Dr. Vilà-Nadal bio at 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

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

Molecular metal oxides self-assembly and inverse design

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

Molecular metal oxides as porous materials

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

Nitrogen activation and molecular metal oxides properties

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

Research groups

Complex Chemistry

Publications

List by: Type | Date

Jump to: 2025 | 2024 | 2023 | 2022 | 2021 | 2020 | 2019 | 2018 | 2017 | 2016 | 2015 | 2014 | 2013 | 2012 | 2011 | 2010 | 2009 | 2008

Number of items: 46.

2025

Dixit, Ankit ORCID: https://orcid.org/0000-0002-6653-6460, Ghosh, Ramesh ORCID: https://orcid.org/0000-0001-9586-8061, JACOBS, JAKE, Kumar, Naveen ORCID: https://orcid.org/0000-0002-4765-1789, Vila-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227, Asenov, Asen ORCID: https://orcid.org/0000-0002-9567-6366, Paul, Douglas J. ORCID: https://orcid.org/0000-0001-7402-8530 and Georgiev, Vihar ORCID: 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: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0002-7718-7227 and Georgiev, Vihar ORCID: 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: 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: 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: 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: 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: https://orcid.org/0000-0002-4000-5928, Thompson, Jake A. and Vilà-Nadal, Laia ORCID: 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: 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: https://orcid.org/0000-0002-7718-7227, Cronin, Leroy ORCID: https://orcid.org/0000-0001-8035-5757 and Georgiev, Vihar P. ORCID: 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: https://orcid.org/0000-0002-7718-7227 and Miras, Haralampos N. ORCID: 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: https://orcid.org/0000-0003-3241-2379, Vilà‐Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0002-3207-7067, de Kler, Noël, Vilà-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0002-7718-7227, Cronin, Lee ORCID: https://orcid.org/0000-0001-8035-5757 and Georgiev, Vihar ORCID: 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: https://orcid.org/0000-0002-0086-5173, Vilà-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0003-2686-335X, Asche, Silke, Mathieson, Jennifer S., Vila-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0001-6473-2508, Vila-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227, Cronin, Leroy ORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID: 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: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID: https://orcid.org/0000-0003-3241-2379, Galán-Mascarós, José Ramón and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0002-7718-7227, Lang, Zhongling, Chen, Jia-jia, Long, De-Liang ORCID: https://orcid.org/0000-0003-3241-2379, Mathieson, Jennifer S., Poblet, Josep M. and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID: 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: 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: 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: https://orcid.org/0000-0002-0086-5173, Vila-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227, Long, De Liang ORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID: https://orcid.org/0000-0002-3493-2020, Mathieson, Jennifer S., Long, De-Liang ORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0001-6473-2508, Amoroso, Salvatore Maria, Ali, Talib Mahmood, Vila-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID: https://orcid.org/0000-0002-3493-2020, Cronin, Leroy ORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID: 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: https://orcid.org/0000-0002-0086-5173, Vilà-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0001-6473-2508, Markov, Stanislav, Vila-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID: https://orcid.org/0000-0002-3493-2020, Cronin, Leroy ORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID: 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: https://orcid.org/0000-0002-7718-7227, Long, De-Liang ORCID: https://orcid.org/0000-0003-3241-2379 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0001-6473-2508, Amoroso, Salvatore M., Vila-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227, Busche, Christoph ORCID: https://orcid.org/0000-0002-3493-2020, Cronin, Leroy ORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID: 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: https://orcid.org/0000-0002-7718-7227, Mitchell, Scott G., Markov, Stanislav, Busche, Christoph ORCID: https://orcid.org/0000-0002-3493-2020, Georgiev, Vihar ORCID: https://orcid.org/0000-0001-6473-2508, Asenov, Asen ORCID: https://orcid.org/0000-0002-9567-6366 and Cronin, Leroy ORCID: 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: https://orcid.org/0000-0002-7718-7227, Peuntinger, K., Busche, C. ORCID: https://orcid.org/0000-0002-3493-2020, Yan, J., Lüders, D., Long, D. ORCID: https://orcid.org/0000-0003-3241-2379, Poblet, J.M., Guldi, D.M. and Cronin, L. ORCID: 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: https://orcid.org/0000-0001-6473-2508, Markov, S., Vilà-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227, Asenov, A. ORCID: https://orcid.org/0000-0002-9567-6366 and Cronin, L. ORCID: 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: https://orcid.org/0000-0001-6473-2508, Markov, Stanislav, Vila-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227, Busche, Cristoph, Cronin, Leroy ORCID: https://orcid.org/0000-0001-8035-5757 and Asenov, Asen ORCID: 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: 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: https://orcid.org/0000-0002-7718-7227, Mitchell, S.G., Long, D.L. ORCID: https://orcid.org/0000-0003-3241-2379, Rodríguez-Fortea, A., López, X., Poblet, J.M. and Cronin, L. ORCID: 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: https://orcid.org/0000-0002-7718-7227, Wilson, E.F., Miras, H.N. ORCID: https://orcid.org/0000-0002-0086-5173, Rodriguez-Fortea, A., Cronin, L. ORCID: 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: https://orcid.org/0000-0002-7718-7227, Mitchell, S.G., Rodríguez-Fortea, A., Miras, H.N. ORCID: https://orcid.org/0000-0002-0086-5173, Cronin, L. ORCID: 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: 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: 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: https://orcid.org/0000-0002-7718-7227, Miras, H.N. ORCID: https://orcid.org/0000-0002-0086-5173, Long, D.L. ORCID: https://orcid.org/0000-0003-3241-2379, Poblet, J.M. and Cronin, L. ORCID: 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: 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: https://orcid.org/0000-0002-7718-7227, Rodriguez-Fortea, A., Yan, L.K., Wilson, E.F., Cronin, L. ORCID: 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: 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)

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Articles

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: https://orcid.org/0000-0002-0086-5173, Vilà-Nadal, Laia ORCID: https://orcid.org/0000-0002-7718-7227 and Cronin, Leroy ORCID: 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)

Book Sections

Conference Proceedings

This list was generated on Sat Oct 18 12:10:51 2025 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:

Probing the States of Single Molecules for Sensing and Multi-value Memory Applications EPSRC – EP/V048341/1; 10/2021 – 09/2025. Co-I with Prof Douglas Paul (PI), Prof Lee Cronin (Co-I), Prof A. Asenov (Co-I), and Dr Vihar Georgiev (Co-I) - Award: £1.6 M

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.

Powering UP: screening for active Zr raw material. EPSRC Summer Vacation internship received for Stacey McLellan (Summer 2024)
Nitrogen fixation with single-atom catalysts. Carnegie Vacation Scholarship received for Robyn Smith (Summer 2025)

Supervision

Looking Ahead

The LVN-Group is developing new proposals that integrate AI-driven 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 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

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.
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

Esteem, External Appointments, and Positions:

Guest co-Editor of the Special Issue: XXV Anniversary TCCM (Theoretical Chemistry Accounts, Springer Nature). Since 2025.
Editorial Advisory Board Member. Chem Phys Chem. Since 2023
ACS member. Since 2017
EPSRC Peer Review College. Since 2024
UKRI Future Leaders Fellowships (FLF) Peer Review College (PRC). Since 2021
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.
Organiser of Scottish Computational Chemistry Symposium in Glasgow 2023
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)

Laia Vila Nadal square photo

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