Publications

Date published	Title	Authors	Journal	Impact Factor
2019-02-27	Imaging the local electronic and magnetic properties of intrinsically phase separated Rb x Fe2–y Se2 superconductor using scanning microscopy techniques	P Dudin, D Herriott, T Davies, A Krzton-Maziopa, E Pomjakushina, K Conder, C Cacho, J R Yates and S C Speller	IOP Science
2019-02-14	Targeted fluorescence lifetime probes reveal responsive organelle viscosity and membrane fluidity	Ida Emilie Steinmark, Arjuna L. James, Pei-Hua Chung, Penny E. Morton, Maddy Parsons, Cécile A. Dreiss,Christian D. Lorenz, Gokhan Yahioglu, Klaus Suhling	PLOS One
2019-02-12	Phase stability of intercalated V2O5 battery cathodes elucidated through the Goldschmidt tolerance factor	Kit McColl and Furio Cora	Physical Chemistry Chemical Physics
2019-01-30	Mg2+ storage and mobility in anatase TiO2: the role of frustrated coordination	Kit McColl and Furio Cora	Journal of Materials Chemistry A
2019-01-23	Computer-Aided Design of Nanoceria Structures as Enzyme Mimetic Agents: The Role of Bodily Electrolytes on Maximizing Their Activity	Marco Molinari, Adam R. Symington, Dean C. Sayle, Tamil S. Sakthivel, Sudipta Seal, and Stephen C. Parker	ACS Applied Biomaterials
2019-01-22	Trans–Cis Proline Switches in a Pentameric Ligand-Gated Ion Channel: How They Are Affected by and How They Affect the Biomolecular Environment	Alessandro Crnjar , Federico Comitani , William Hester, and Carla Molteni	The Journal of Physical Chemistry Letters
2019-01-21	Lone-pair effect on carrier capture in Cu2ZnSnS4 solar cells	Sunghyun Kim,*a Ji-Sang Park,a Samantha N. Hooda and Aron Walsh	Journal of Materials Chemistry A
2019-01-16	Effects of calcium on planar fault energies in ternary magnesium alloys	E. I. Andritsos and A. T. Paxton
2019-01-04	Adsorption Behavior of Organic Molecules: A Study of Benzotriazole on Cu(111) with Spectroscopic and Theoretical Methods	Chiara Gattinoni, Panayiotis Tsaousis, Chanan Euaruksakul, Rachel Price, David A. Duncan, Tod Pascal, David Prendergast, Georg Held, and Angelos Michaelides	Langmuir	3.789
2018-11-23	Interatomic potentials of Mg ions in aqueous solutions: structure and dehydration kinetics	Xinxing Zhang, Pedro Alvarez-Lloret, Greg Chass, Devis Di Tommaso	European Journal of Mineralogy
2018-11-20	Open-Circuit Voltage Deficit in Cu2ZnSnS4 Solar Cells by Interface Band Gap Narrowing	Ji-Sang Park1, Sunghyun Kim, Samantha N. Hood, and Aron Walsh	Applied Physical Letters
2018-11-05	Vibrationally induced metallisation of the energetic azide a-NaN	Adam A. L. Michalchuk, Svemir Rudic, Colin R. Pulham and Carole A. Morrison	Royal Society of Chemistry
2018-11-02	Self-assembly of correlated Kondo lattices: The Mott to Kondo transition in diluted superlattices	Hovan Lee, Evgeny Plekhanov, David Blackbourn, Swagata Acharya, Cedric Weber	arXiv.org
2018-10-29	Detection of catalytic intermediates at an electrode surface during carbon dioxide reduction by an earth-abundant catalyst	Gaia Neri, James. J. Walsh, Gilberto Teobaldi, Paul M. Donaldson & Alexander J. Cowan	Nature Catalysis	N/A yet
2018-10-23	Emergence of novel magnetic order at finite temperature in overdoped pnictides	Carla Lupo, Thomas Julian Roberts, Cedric Weber	arXiv.org
2018-10-23	Stability and electronic properties of planar defects in quaternary I2-II-IV-VI4 semiconductors	Ji-Sang Park, Sunghyun Kim, and Aron Walsh	Journal of Applied Physics	2.176
2018-10-22	Incorporating particle flexibility in a density functional description of nematics and cholesterics	Maxime M.C. Tortora and Jonathan P.K. Doye	Molecular Physics	1.704
2018-10-18	Control of Uniaxial Negative Thermal Expansion in Layered Perovskites by Tuning Layer Thickness	Chris Ablitt, Arash A. Mostofi, Nicholas C. Bristowe, Mark S. Senn	Frontiers in Chemistry: Physical Chemistry and Chemical Physics	4.155
2018-10-16	Impact of vacuum stability, perturbativity and XENON1T on global fits of Z2 and Z3 scalar singlet dark matter	Peter Athron, Jonathan M. Cornell, Felix Kahlhoefer, James McKay, Pat Scott, Email author: Sebastian Wild	The European Physical Journal C	5.331
2018-10-16	A Machine Learning Potential for Graphene	Patrick Rowe, Gabor Csanyi, Dario Alfe, Angelos Michaelides	Physical Review B	3.813
2018-10-01	Ethanol, O, and CO adsorption on Pt nanoparticles: effects of nanoparticle size and graphene support	L. G. Verga, A. E. Russell, C.-K. Skylaris	Physical Chemistry Chemical Physics	4.449
2018-10-01	Ethanol, O, and CO adsorption on Pt nanoparticles: effects of nanoparticle size and graphene support	L. G. Verga, A. E. Russell and C.-K. Skylaris	Physical Chemistry Chemical Physics
2018-09-28	Mechanism of Gold-Assisted Exfoliation of Centimeter-Sized Transition-Metal Dichalcogenide Monolayers	Matěj Velický, Gavin E. Donnelly, William R. Hendren, Stephen McFarland, Declan Scullion, William J. I. DeBenedetti, Gabriela Calinao Correa, Yimo Han, Andrew J. Wain, Melissa A. Hines, David A. Muller, Kostya S. Novoselov, Héctor D. Abruña, Robert M. Bowman, Elton J. G. Santos, and Fumin Huang	ACS Nano	13.709
2018-09-11	Band structure interpolation using optimized local orbitals from linear-scaling density functional theory	L. E. Ratcliff, G. J. Conduit, N. D. M. Hine, and P. D. Haynes	Physical Review B	3.813
2018-09-10	Spontaneous Frenkel pair formation in Zirconium Carbide	Thomas A. Mellan, Andrew I. Duff, Michael W. Finnis	Preprint?
2018-09-06	Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys	Matthew T. Darby, Michail Stamatakis, Angelos Michaelides, E. Charles. H. Sykes	The Journal of Physical Chemistry Letters	8.709
2018-09-04	Acidity Constants of the Hematite–Liquid Water Interface from Ab Initio Molecular Dynamics	Oliver R. Gittus, Guido Falk von Rudorff, Kevin M. Rosso, Jochen Blumberger	The Journal of Physical Chemistry Letters	8.709
2018-08-30	Global analyses of Higgs portal singlet dark matter models using GAMBIT	The GAMBIT Collaboration: Peter Athron, Csaba Balázs, Ankit Beniwal, Sanjay Bloor, José Eliel Camargo-Molina, Jonathan M. Cornell, Ben Farmer, Andrew Fowlie, Tomás E. Gonzalo, Felix Kahlhoefer, Anders Kvellestad, Gregory D. Martinez, Pat Scott, Aaron C. Vincent, Sebastian Wild, Martin White, Anthony G. Williams	arXiv.org
2018-08-30	Protecting Ceria Nanocatalysts—The Role of Sacrificial Barriers	Lucy M. Morgan, Marco Molinari, Anna Corrias, Dean C. Sayle	Applied Materials and Interfaces	8.097
2018-08-13	Response Formalism within Full Configuration Interaction Quantum Monte Carlo: Static Properties and Electrical Response	Pradipta Kumar Samanta, Nick S. Blunt, and George H. Booth	Journal of Chemical Theory and Computation	5.301
2018-08-06	Dynamic symmetry breaking and spin splitting in metal halide perovskites	Scott McKechnie, Jarvist M. Frost, Dimitar Pashov, Pooya Azarhoosh, Aron Walsh, and Mark van Schilfgaarde	Physical Review B	3.813
2018-08-03	A Pathway to the Athermal Impact Initiation of Energetic Azides	Adam A. L. Michalchuk, Peter T. Fincham, Peter Portius, Colin R. Pulham, Carole A. Morrison	The Journal of Physical Chemistry C	4.484
2018-08-01	Enhanced thermoelectric performance of Sn-doped Cu3SbS4	Kan Chen, Cono Di Paola, Baoli Du, Ruizhi Zhang, Savio Laricchia, Nicola Bonini, Cedric Weber, Isaac Abrahams, Haixue Yan, Mike Reece	Journal of Materials Chemistry C	5.976
2018-08-01	Enhanced thermoelectric performance of Sn-doped Cu3SbS4	Kan Chen, Cono Di Paola, Baoli Du, Ruizhi Zhang, Savio Laricchia, Nicola Bonini, Cedric Weber, Isaac Abrahams, Haixue Yana and Mike Reece	Journal of Materials Chemistry C
2018-07-27	Re-evaluating how charge transfer modifies the conformation of adsorbed molecules	P. J. Blowey, S. Velari, L. A. Rochford, D. A. Duncan, D. A. Warr, T.-L. Lee, A. De Vita, G. Costantini and D. P. Woodruff	Nanoscale	7.233
2018-07-25	Strain Engineering and Raman Spectroscopy of Monolayer Transition Metal Dichalcogenides	A. M. Dadgar, D. Scullion, K. Kang∥, D. Esposito, E. H. Yang, I. P. Herman, M. A. Pimenta, E.-J. G. Santos, A. N. Pasupathy	Chemistry of Materials	9.89
2018-07-23	Non-linear biases, stochastically-sampled effective Hamiltonians and spectral functions in quantum Monte Carlo methods	Nick S. Blunt, Ali Alavi, George H. Booth	arXiv.org
2018-07-06	A two-phase Hessian approach improves the DFT relaxation of slabs	P A G Davies, W M C Foulkes	Journal of Physics: Condensed Matter	2.617
2018-06-21	Atomic-scale description of interfaces in rutile/sodium silicate glass–crystal composites	Paul C. M. Fossati, Michael J. D. Rushton, William E. Lee	Physical Chemistry Chemical Physics	4.449
2018-06-21	Atomic-scale description of interfaces in rutile/sodium silicate glass–crystal composites	Paul C. M. Fossati,a Michael J. D. Rushton and William E. Lee	Physical Chemistry Chemical Physics
2018-06-11	Building machine learning force fields for nanoclusters	Claudio Zeni, Kevin Rossi, Aldo Glielmo, Nicola Gaston, Francesca Baletto, Alessandro De Vita	The Journal of Chemical Physics	2.843
2018-05-31	PRODAN differentially influences its local environment	Adam Suhaj, Alix Le Marois, David J. Williamson, Klaus Suhling, Christian D. Lorenz ORCID, Dylan M. Owen	Physical Chemistry Chemical Physics	4.449
2018-05-24	Efficient nonparametric n-body force fields from machine learning	Aldo Glielmo, Claudio Zeni, Alessandro De Vita	Physical Review B	3.813
2018-05-23	Order-disorder transition in Cu2ZnSnS4 solar cells from Monte Carlo Simulations	Suzanne Wallace, Jarvist M. Frost, Aron Walsh	ChemRxiv
2018-05-18	Computational Prediction of Muon Stopping Sites Using Ab Initio Random Structure Searching (AIRSS)	Leandro Liborio, Simone Sturniolo, Dominik Jochym	The Journal of Chemical Physics	2.843
2018-05-17	A Group-theoretical Approach to Enumerating Magnetoelectric and Multiferroic Couplings in Perovskites	Mark S. Senn, Nicholas C. Bristowe	Acta Crystallographica Section A	7.93
2018-05-14	Stochastic Approach to Non-Equilibrium Quantum Spin Systems	S. De Nicola, B. Doyon, M. J. Bhaseen	arXiv.org
2018-05-10	Metal-Insulator Transition in Copper Oxides Induced by Apex Displacements	Swagata Acharya, Cédric Weber, Evgeny Plekhanov, Dimitar Pashov, A. Taraphder, and Mark Van Schilfgaarde	Physical Review X	14.385
2018-05-10	Role of electron-phonon coupling and thermal expansion on band gaps, carrier mobility, and interfacial offsets in kesterite thin-film solar cells	Bartomeu Monserrat, Ji-Sang Park, Sunghyun Kim, and Aron Walsh	Applied Physical Letters	3.495
2018-05-05	Origin of Pronounced Nonlinear Band Gap Behavior in Lead–Tin Hybrid Perovskite Alloys	Anuj Goyal, Scott McKechnie, Dimitar Pashov, William Tumas, Mark van Schilfgaarde, and Vladan Stevanović	Chemistry of Materials	9.89
2018-05-03	Bulk viscosity of molecular fluids	Frederike Jaeger, Omar K. Matar, and Erich A. Müller	The Journal of Chemical Physics	2.843
2018-04-30	Hundredfold Enhancement of Light Emission via Defect Control in Monolayer Transition-Metal Dichalcogenides	D. Edelberg, D. Rhodes, A. Kerelsky, B. Kim, J. Wang, A. Zangiabadi, C. Kim, A. Abhinandan, J. Ardelean, M. Scully, D. Scullion, L. Embon, I. Zhang, R. Zu, Elton J. G. Santos, L. Balicas, C. Marianetti, K. Barmak, X.-Y. Zhu, J. Hone, A. N. Pasupathy	arXiv.org
2018-03-28	Asymmetric Electric Field Screening in van der Waals Heterostructures	Lu Hua Li, Tian Tian, Qiran Cai, Chih-Jen Shih and Elton J. G. Santos	Nature Communications	12.353
2018-03-16	Ideal vs real: Simulated annealing of experimentally derived and geometric platinum nanoparticles	Tom Ellaby, Jolyon Aarons, Aakash Varambhia, Lewys Jones, Peter Nellist, Dogan Ozkaya, Misbah Sarwar, David Thompsett, Chris-Kriton Skylaris	Journal of Physics: Condensed Matter	2.617
2018-03-07	Formation and Elimination of Anti-site Defects during Crystallization in Perovskite Ba1–xSrxLiF3	A. Düvel, L. M. Morgan, C. Vinod Chandran, P. Heitjans, and D. C. Sayle	Crystal Growth and Design	3.972
2018-03-06	Nanoscopic time crystal obtained by non-ergodic spin dynamics	Carla Lupo, Cedric Weber	arXiv.org
2018-03-02	Direct Covalent Chemical Functionalization of Unmodified Two-Dimensional Molybdenum Disulfide	Ximo S. Chu, Ahmed Yousaf, Duo O. Li, Anli A. Tan, Abhishek Debnath, Duo Ma, Alexander A. Green, Elton J. G. Santos, and Qing Hua Wang	Chemistry of Materials	9.89
2018-03-01	Spectroscopic size and thickness metrics for liquid-exfoliated h-BN	Aideen Griffin, Brian Cunningham, Declan Scullion, Tian Tian, Chih-Jen Shih, Myrta Gruening, Andrew Harvey, John Donegan, Elton J. G. Santos, Claudia Backes, Jonathan N. Coleman	Chemistry of Materials	9.89
2018-02-27	Anisotropic lattice softening near the structural phase transition in the thermosalient crystal 1, 2, 4, 5-tetrabromobenzene	B. Zakharov, A., A.L. Michalchuk, C. Morrison, E. Boldyreva	Physical Chemistry Chemical Physics	4.449
2018-02-15	DL_MG: A Parallel Multigrid Poisson and Poisson-Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution	Womack JC, Anton L, Dziedzic J, Hasnip PJ, Probert MIJ, Skylaris CK	Journal of Chemical Theory and Computation	5.301
2018-02-05	Development of a machine learning potential for graphene	Patrick Rowe, Gábor Csányi, Dario Alfè, and Angelos Michaelides	Physical Review B	3.813
2018-01-25	Identification of Killer Defects in Kesterite Thin-Film Solar Cells	Sunghyun Kim, Ji-Sang Park, Aron Walsh	ACS Energy Letters	12.277
2018-01-17	Opposing effects of stacking faults and antisite domain boundaries on the conduction band edge in kesterite quaternary semiconductors	Ji-Sang Park, Sunghyun Kim, Aron Walsh	Physical Review Materials	3.93
2018-01-08	Carbon Monoxide Poisoning Resistance and Structural Stability of Single Atom Alloys	Matthew T. Darby, E. Charles H. Sykes, Angelos Michaelides, Michail Stamatakis	Topics in Catalysis	2.439
2018-01-03	DFT calculation of oxygen adsorption on platinum nanoparticles: Coverage and size effects	Lucas Garcia Verga , Jolyon Aarons , Misbah Sarwar , David Thompsett , Andrea E Russell and Chris-Kriton Skylaris	Faraday Discussions	3.427
2017-12-22	Aggregation-induced emission in lamellar solids of colloidal perovskite quantum wells	Jagielski J, Kumar S, Wang M, Scullion D, Lawrence R, Li YT, Yakunin S, Tian T, Kovalenko MV, Chiu YC, Santos EJG, Lin S, Shih CJ	Science Advances	11.51
2017-12-15	Structure, thermodynamics, and rearrangement mechanisms in gold clusters-insights from the energy landscapes framework	Schebarchov D, Baletto F, Wales DJ	Nanoscale	7.233
2017-12-13	Hierarchical bounding structures for efficient virial computations: Towards a realistic molecular description of cholesterics	Maxime M. C. Tortora and Jonathan P. K. Doye	The Journal of Chemical Physics	2.843
2017-12-07	A long-range ordered array of copper tetrameric units embedded in an on-surface metal organic framework	Matteo Lo Cicero, Ada Della Pia, Massimo Riello, Luciano Colazzo, Francesco Sedona, Maria Grazia Betti, Mauro Sambi, Alessandro De Vita, and Carlo Mariani	The Journal of Chemical Physics	2.843
2017-11-28	Tin chemical shift anisotropy in tin dioxide: On ambiguity of CSA asymmetry derived from MAS spectra	Abil E.Aliev, Albert P.Bartók, Jonathan R.Yates	Solid State Nuclear Magnetic Resonance	2.674
2017-10-24	Toward Fractioning of Isomers through Binding-Induced Acceleration of Azobenzene Switching	Rosaria Vulcano, Paolo Pengo, Simone Velari, Johan Wouters, Alessandro De Vita, Paolo Tecilla, and Davide Bonifazi	Journal of the American Chemical Society	14.357
2017-10-22	Pre-critical fluctuations and what they disclose about heterogeneous crystal nucleation	Martin Fitzner, Gabriele C. Sosso, Fabio Pietrucci, Silvio Pipolo & Angelos Michaelides	Nature Communications	12.353
2017-10-16	The origin of uniaxial negative thermal expansion in layered perovskites	Chris Ablitt, Sarah Craddock, Mark S. Senn, Arash A. Mostofi and Nicholas C. Bristowe	NPJ Computational Materials	8.941
2017-09-29	Imeall: A Computational Framework for the Calculation of the Atomistic Properties of Grain Boundaries	H. Lambert, Adam Fekete, J. R. Kermode, A. De Vita	Computer Physics Communications	3.748
	Hundredfold Enhancement of Light Emission via Defect Control in Monolayer Transition-Metal Dichalcogenides	D. Edelberg, D. Rhodes, A. Kerelsky, B. Kim, J. Wang, A. Zangiabadi, C. Kim, A. Abhinandan, J. Ardelean, M. Scully, D. Scullion, L. Embon, I. Zhang, R. Zu, Elton J. G. Santos, L. Balicas, Chris Marianetti, K. Barmak, X.-Y. Zhu, J. Hone, A. N. Pasupathy	arXiv.org
	Impact of vacuum stability, perturbativity and XENON1T on global ﬁts of Z2 and Z3 scalar singlet dark matter	Peter Athron, Jonathan M. Cornell, Felix Kahlhoefer, James McKay, Pat Scott, Sebastian Wild	arXiv.org
	Impact of non-parabolic electronic band structure on the optical and transport properties of photovoltaic materials	Lucy D. Whalley, Jarvist M. Frost, Benjamin J. Morgan, Aron Walsh	arXiv.org
	Perspective: Dielectric and Ferroic Properties of Metal Halide Perovskites	Jacob N. Wilson, Jarvist M. Frost, Suzanne K. Wallace, and Aron Walsh	arXiv.org
	Evening out the spin and charge parity to increase Tc in unconventional superconductors	Swagata Acharya, Dimitar Pashov, Cedric Weber, Hyowon Park, Lorenzo Sponza, Mark van Schilfgaarde	arXiv.org
	Super-exchange mechanism and quantum many body excitations in the archetypal hemocyanin/tyrosinase di-Cu oxo-bridge	Mohamed Ali al-Badri, Edward Linscott, Antoine Georges, Daniel J. Cole, and Cedric Weber	arXiv.org
	On the physisorption of water on graphene: Sub-chemical accuracy from many-body electronic structure methods	Jan Gerit Brandenburg, Andrea Zen, Martin Fitzner, Benjamin Ramberger, Georg Kresse, Theodoros Tsatsoulis, Andreas Gru¨neis, Angelos Michaelides and Dario Alfe	arXiv.org
	Eﬀect of intrinsic defects on the thermal conductivity of PbTe from classical molecular dynamics simulations	Javier F. Troncoso, Pablo Aguado-Puente, Jorge Kohanoﬀ	arXiv.org
	Chiral shape ﬂuctuations and the origin of chirality in cholesteric phases of DNA origamis	Maxime M.C. Tortora, Garima Mishra, Domen Preˇsern, and Jonathan P.K. Doye	arXiv.org
	Electron and phonon interactions and transport in ultra-high-temperature ceramic ZrC	Thomas A. Mellan, Alex Aziz, Yi Xia, Ricardo Grau-Crespo, and Andrew I. Duﬀ	arXiv.org
	Ice is Born in Low-Mobility Regions of Supercooled Liquid Water	Martin Fitzner, Stephen J. Cox, Angelos Michaelides and Gabriele Sosso	arXiv.org
	Comparison between Density Functional Theory and Density Functional Tight Binding approaches for ﬁnding the muon stopping site in organic molecular crystals	Simone Sturniolo, Leandro Liborio, and Samuel Jackson	arXiv.org
	Tuning topological surface states by cleavage angle in topological crystalline insulators	Evgeny Plekhanov and Cedric Weber	arXiv.org
	A Global Analysis of Dark Matter Signals from 27 Dwarf Spheroidal Galaxies using Ten Years of Fermi-LAT Observations	Sebastian Hoof, Alex Geringer-Sameth, and Roberto Trotta	arXiv.org
	Stabilization and self-passivation of symmetrical grain boundaries by mirror symmetry breakin	Ji-Sang Park	arXiv.org
	Evening out the spin and charge parity to increase T$_c$ in unconventional superconductors	Swagata Acharya, Dimitar Pashov, Cédric Weber, Hyowon Park, Lorenzo Sponza, Mark van Schilfgaarde	arXiv.org
	First principles study of ferroelastic twins in halide perovskites	Andrew R. Warwick, Jorge Iniguez, Peter D. Haynes and Nicholas C. Bristowe	arXiv.org
	Possible phonon-induced electronic bi-stability in VO2 for ultrafast memory at room temperature	Cedric Weber, Swagata Acharya, Brian Cunningham, Myrta Gruning, Liangliang Zhang, Hang Zhao, Yong Tan, Yan Zhang, Cunlin Zhang, Kai Liu, Mark Van Schilfgaarde, Mostafa Shalaby	arXiv.org
	Pseudo-Fragment Approach for Extended Systems Derived from Linear-Scaling DFT	Laura E. Ratcliff, Luigi Genovese	arXiv.org
	Transport Properties of Water Conﬁned in a Graphene Nanochannel	Frederike Jaeger, Omar K. Matar, and Erich A. Müller	arXiv.org
	Methane/Carbon Dioxide Partitioning in Clay Nano-and Meso-Pores: Molecular Dynamics Modeling with Constant Reservoir Composition	A. Ozgur Yazaydin, Narasimhan L, Geoffrey M. Bowers, Andrey G. Kalinichev, Brice Firmin Ngouana Wakou, R. Jim Kirkpatrick	ChemRxiv
	Spin interactions and magnetic order in the iron oxychalcogenides BaFe2Q2O	B. D. Coles, A. D. Hillier, F. C. Coomer, N. C. Bristowe, S. Ramos and E. E. McCabe	arXiv.org
2019-05-27	Hydrogen-bond-mediated structural variation of metal guanidinium formate hybrid perovskites under pressure	Z. Yang, G. Cai, C. L. Bull, M. G. Tucker, M. T. Dove, A. Friedrich and A. E. Phillips	Philosophical Transactions of the Royal Society A	3.093
	Molecular and Crystalline Requirements for Solid State Fluorescence Exploiting Excited State Intramolecular Proton Transfer	Dommett, M. Rivera, M. T. H. Smith and R. Crespo Otero	ChemRxiv
2019-05-03	Understanding Aggregation Induced Emission in a Propeller‐Shaped Blue Emitter	L. Stojanović and R. Crespo‐Otero	ChemPhotoChem
2019-03-13	ONIOM(QM:QM′) Electrostatic Embedding Schemes for Photochemistry in Molecular Crystals	M. Rivera, M. Dommett and R. Crespo-Otero	Journal of Chemical Theory and Computation	5.313
2018-11-26	Water oxidation catalysed by quantum-sized BiVO4	L. del Olmo, M. Dommett, I. H. Oevreeide, A. Walsh, D. Di Tommaso and R. Crespo-Otero	Journal of Materials Chemistry A	10.733