Student Publications


  • Predicting polarizabilities of silicon clusters using local chemical environments, Mario G Zauchner, Stefano Dal Forno, Gabor Csanyi, Andrew Horsfield and Johannes Lischner,  Mach. Learn.: Sci. Technol. 2 045029, 22 October 2021
  • Gain in time-dependent media—a new mechanism, J. B. Pendry, E. Galiffi, and P. A. Huidobro, JOSA B 38 (11), 3360-3366, 18 October 2021
  • Proposal for THz lasing from a topological quantum dot, Marie S. Rider and Vincenzo Giannini, Nanophotonics, 2021, pp. 20210292, 7 September 2021
  • Plastic relaxation and solute segregation to β-Nb second phase particles in Zr-Nb alloys: A discrete dislocation plasticity, Luca Reali, Daniel S. Balint, Adrian P. Sutton, Mark R. Wenman, Journal of the Mechanics and Physics of Solids,Volume 156, 104581, 2021
  • Homogenization Theory of Space-Time Metamaterials, P.A. Huidobro, M.G. Silveirinha, E. Galiffi, and J.B. Pendry, Phys. Rev. Applied 16, 014044, 19 July 2021
  • Mean-Field Theory of the Electrical Double Layer in Ionic Liquids, Zachary A.H. Goodwin, J.Pedro de Souza, Martin Z.Bazant, Alexei A. Kornyshev, Encyclopedia of Ionic Liquids. Springer, Singapore, 17 July 2021
  • Photon localization and Bloch symmetry breaking in luminal gratings, E. Galiffi, M. G. Silveirinha, P. A. Huidobro, and J. B. Pendry, Phys. Rev. B 104, 014302, 6 July 2021
  • Berry bands and pseudo-spin of topological photonic phases, Samuel J. Palmer and Vincenzo Giannini, Phys. Rev. Research 3, L022013, 18 May 2021
  • Importance of long-ranged electron-electron interactions for the magnetic phase diagram of twisted bilayer graphene Lennart Klebl, Zachary AH Goodwin, Arash A Mostofi, Dante M Kennes, Johannes Lischner, Physical Review B, volume 103, 195127, 12 May 2021
  • Ion Clusters and Networks in Water-in-Salt Electrolytes, Michael McEldrew, Zachary A.H. Goodwin, Sheng Bi, Alexei A. Kornyshev and Martin Z. Bazant,  J. Electrochem. Soc. 168 050514, 7 May 2021
  • Effect of micro-aeration on the mechanical behaviour of chocolates and implications for oral processing, D. Bikos, G. Samaras, P. Cann, M. Masen, Y. Hardalupas, C. Hartmann, J. Vieira and M.N. Charalambides, Food Funct., 2021, Advance Article, 05 May 2021
  • Gain mechanism in time-dependent media, J. B. Pendry, E. Galiffi, and P. A. Huidobro, Optica 8 (5), 636-637, 29 April 2021
  • Operando Measurement of Layer Breathing Modes in Lithiated Graphite, Hossein Yadegari, Mohamed A. Koronfel, Kang Wang, Daisy B. Thornton, Ifan E. L. Stephens, Carla Molteni, Peter D. Haynes and Mary P. Ryan, ACS Energy Lett. 2021, 6, 4, 1633-1638, 1 April 2021
  • A fast efficient multi-scale approach to modelling the development of hydride microstructures in zirconium alloys, Patel, M., Reali, L., Sutton, A. P., Balint, D. S., & Wenman, M. R., Computational Materials Science, 190, 110279, 1 April 2021
  • Stability of Zr-Al-C and Ti-Al-C MAX phases: A theoretical study, Angeliki Poulou, Thomas A. Mellan, and Michael W. Finnis, Phys. Rev. Materials 5, 033608, 25 March 2021
  • Correlated Ion Transport and the Gel Phase in Room Temperature Ionic Liquids, M McEldrew, ZAH Goodwin, H Zhao, MZ Bazant, AA Kornyshev, J. Phys. Chem. B 2021, 125, 10, 2677–2689, 9 March 2021
  • Dynamics of a surfactant-laden bubble bursting through an interface, C. R. Constante-Amores, L. Kahouadji, A. Batchvarov, S. Shin, J. Chergui, D. Juric and O. K. Matar, Journal of Fluid Mechanics, Volume 911, 03 February 2021
  • Multi-phonon proton transfer pathway in a molecular organic ferroelectric crystal, Matthew T.O. Okenyi, Laura E. Ratchcliff and Aron Walsh, Phys. Chem. Chem. Phys., 2021, 23, 2885-2890, 11 January 2021
  • Three-dimensional dynamics of falling films in the presence of insoluble surfactants, A. Batchvarov, L. Kahouadji, C. R. Constante-Amores, G. F. N. Gonc ̧alves, S. Shin, J. Chergui, D. Juric, R. Craster, O. K. Matar, Journal of Fluid Mechanics , Volume 906, 10 January 2021

Photon localization and Bloch symmetry breaking in luminal gratings

E. Galiffi, M. G. Silveirinha, P. A. Huidobro, and J. B. Pendry 

Phys. Rev. B 104, 014302 – Published 6 July 2021​


  • Beyond two-center tight binding: Models for Mg and Zr, R. M. Fogarty, J. Smutna, M. R. Wenman, and A. P. Horsfield, Phys. Rev. Materials 4, 113806, 16 November 2020
  • Rico and the lets: Direct numerical simulations of turbulent jets, C. R. Constante-Amores, L. Kahouadji, A. Batchvarov, S. Shin, J. Chergui, D. Juric and O. K. Matar, Phys. Rev. Fluids 5, 110501, 12 November 2020
  • Experimental signature of a topological quantum dot, Marie S. Rider, Maria Sokolikova, Stephen M. Hanham, Miguel Navarro-Cia, Peter D. Haynes, Derek K.K. Lee, Maddalena Daniele, Mariangela Cestelli Guidi, Cecilia Mattevi, Stefano Lupi and Vincenzo Giannini, Nanoscale, 2020, 12, 22817-22825, 04 November 2020
  • Plasticity of zirconium hydrides: a coupled edge and screw discrete dislocation model, Luca Reali, Mark R. Wenman, Adrian P. Sutton and Daniel S. Balint, Journal of the Mechanics and Physics of Solids, 104219, November 2020
  • Effect of bilayer stacking on the atomic and electronic structure of twisted double bilayer graphene, X Liang, ZAH Goodwin, V Vitale, F Corsetti, AA Mostofi, J Lischner, Phys. Rev. B 102, 155146, 29 October 2020
  • Effect of surfactant on elongated bubbles in capillary tubes at high Reynolds number, A. Batchvarov, M. Magnini, L. Kahouadji, C. R. Constante-Amores, S. Shin, J. Chergui, D. Juric, R. Craster, O. K. Matar, Phys. Rev. Fluids 5, 093605, 23 September 2020
  • Wood Anomalies and Surface-Wave Excitation with a Time Grating, Emanuele Galiffi, Yao-Ting Wang, Zhen Lim, J.B. Pendry, Andrea Alù and Paloma A. Huidobro, Phys. Rev. Lett. 125, 127403, 17 September 2020
  • Interfacial Layering in the Electric Double Layer of Ionic Liquids, JP de Souza, ZAH Goodwin, M McEldrew, AA Kornyshev, MZ Bazant, Phys. Rev. Lett. 125, 116001, 8 September 2020
  • Dynamics of retracting surfactant-laden ligaments at intermediate Ohnesorge number, C. R. Constante-Amores, L. Kahouadji, A. Batchvarov, S. Shin, J. Chergui, D. Juric and O. K. Matar, Phys. Rev. Fluids 5, 084007, 27 August 2020
  • Hartree theory calculations of quasiparticle properties in twisted bilayer graphene, ZAH Goodwin, V Vitale, X Liang, AA Mostofi, J Lischner, Electronic structure 2 (3), 034001, 3 August 2020
  • Enforced Freedom: Electric‐Field‐Induced Declustering of Ionic‐Liquid Ions in the Electrical Double Layer, Y Zhang, T Ye, M Chen, ZAH Goodwin, G Feng, J Huang, AA Kornyshev, Energy & Environmental Materials 3 (3), 414-420 
  • Modeling the dielectric constants of crystals using machine learning, K. Morita, D. W. Davies, K. T. Butler, and A. Walsh, J. Chem. Phys. 153, 024503, June 2020
  • Theory of Ion Aggregation and Gelation in Super-Concentrated Electrolytes, M McEldrew, ZAH Goodwin, S Bi, MZ Bazant, AA Kornyshev,  J. Chem. Phys. 152, 234506, 19 June 2020
  • Cascaded nanooptics to probe microsecond atomic-scale phenomena, Marlous Kamp, Bart de Nijs, Nuttawut Kongsuwan, Matthias Saba, Rohit Chikkaraddy, Charlie A. Readman, William M. Deacon, Jack Griffiths, Steven J. Barrow, Oluwafemi S. Ojambati, Demelza Wright, Junyang Huang, Ortwin Hess, Oren A. Scherman and Jeremy J. Baumberg, Proceedings of the National Academy of Sciences Jun 2020, 201920091
  • Substituent Effects on the Thermal Decomposition of Phosphate Esters on Ferrous Surfaces, James P. Ewen, Carlos Ayestaran Latorre, Chiara Gattinoni, Arash Khajeh, Joshua D. Moore, Joseph E. Remias, Ashlie Martinin, and Daniele Dini, J. Phys. Chem. C 2020, 124, 18, 9852–9865, 14 April 2020
  • Systematic development of ab initio tight-binding models for hexagonal metals, J. Smutna, R. M. Fogarty, M. R. Wenman, and A. P. Horsfield, Phys. Rev. Materials 4, 043801, 10 April 2020
  • Critical role of device geometry for the phase diagram of twisted bilayer graphene, ZAH Goodwin, V Vitale, F Corsetti, DK Efetov, AA Mostofi, J Lischner, Phys. Rev. B 101, 165110, 9 April 2020
  • Nonlocal effects in plasmonic metasurfaces with almost touching surfaces, Fan Yang, Emanuele Galiffi, Paloma Arroyo Huidobro, and J. B. Pendry, Phys. Rev. B 101, 075434, 28 February 2020
  • Plasmon Localization Assisted by Conformal Symmetry, Lizhen Lu, Emanuele Galiffi, Kun Ding, Tianyu Dong, Xikui Ma and John B. Pendry, ACSphotonics.9b01581 , 28 February 2020
  • Resonant and bound states of charged defects in two-dimensional semiconductors, Martik Aghajanian, Bruno Schuler, Katherine A. Cochrane, Jun-Ho Lee, Christoph Kastl, Jeffrey B. Neaton, Alexander Weber-Bargioni, Arash A. Mostofi, and Johannes Lischner, Phys. Rev. B 101, 081201, 24 February 2020
  • Nanoscopy through a plasmonic nanolens, Matthew J. Horton, Oluwafemi S. Ojambati, Rohit Chikkaraddy, William M. Deacon, Nuttawut Kongsuwan, Angela Demetriadou, Ortwin Hess and Jeremy J. Baumberg, PNAS February 4, 2020 117 (5) 2275-2281, February 2020
  • Plasmonic Nanocavity Modes: From Near-Field to Far-Field Radiation, Nuttawut Kongsuwan, Angela Demetriadou, Matthew Horton, Rohit Chikkaraddy, Jeremy J. Baumberg and Ortwin Hess, ACS Photonics 2020, 7, 2, 463–471, 9 January 2020


  • Attractive electron-electron interactions from internal screening in magic-angle twisted bilayer graphene, ZAH Goodwin, F Corsetti, AA Mostofi, J Lischner, Phys. Rev B 100, 235424, 12 December 2019
  • Probing graphene's nonlocality with singular metasurfaces, Emanuele Galiffi, Paloma A. Huidobro, Paulo Andre D. Goncalves, Niels Asger Mortensen, John B. Pendry,Nanophotonics, 20190323, ISSN (Online) 2192-8614 , 6 December 2019
  • Toward a Quantum Plasmonic Immunoassay, Nuttawut Kongsuwan, Ortwin Hess, Xiao Xiong, Ping Bai, Jiabin You, Ching Eng Png and Lin Wu, Optics & Photonics News, December 2019
  • Tailoring the Third-Order Nonlinear Optical Property of a Hybrid Semiconductor Quantum Dot-Metal Nanoparticle: From Saturable to Fano-Enhanced Absorption, Xiaona Liu, Nuttawut Kongsuwan, Xiaoguang Li, Dongxing Zhao, Zhengmao Wu, Ortwin Hess and Xinhui Zhang,  J. Phys. Chem. Lett. 2019, 10, 24, 7594–7602, 26 November 2019
  • Fresnel drag in space–time-modulated metamaterials, Paloma A. Huidobro, Emanuele Galiffi, Sébastien Guenneau, Richard V. Craster, and J. B. Pendry, , 25 November 2019
  • Broadband Nonreciprocal Amplification in Luminal Metamaterials, Emanuele Galiffi, Paloma Arroyo Huidobro and John Pendry, Phys. Rev. Lett. 123, 206101, 15 November 2019
  • Twist-angle sensitivity of electron correlations in moiré graphene bilayers, ZAH Goodwin, F Corsetti, AA Mostofi, J Lischner, Phys. Rev. B 100, 121106, 23 September 2019
  • Quantum Plasmonic Immunoassay Sensing, Nuttawut Kongsuwan, Xiao Xiong, Ping Bai, Jia-Bin You, Ching Eng Png, Lin Wu and Ortwin Hess, Nano Lett. 2019, 19, 9, 5853–5861, 29 July 2019
  • Simulating Surfactant–Iron Oxide Interfaces: From Density Functional Theory to Molecular Dynamics, Carlos Ayestarán Latorre, James P. Ewen, Chiara Gattinoni and Daniele Dini, J. Phys. Chem. B 2019, 123, 31, 6870-6881,  11 July 2019
  • Single plasmon hot carrier generation in metallic nanoparticles, Lara Roman Castellanos, Ortwin Hess & Johannes Lischner, Communications Physics volume 2, Article number:47, 2019
  • The microscopic Einstein-de Haas effect, Tomos Wells, Andrew Horsfield, Matthew Foulkes and Sergei Dudarev, The Journal of Chemical Physics volume 150, Issue 22, 10.1063/1.5092223, May 2019
  • Free and bound states of ions in ionic liquids, conductivity, and underscreening paradox, Guang Feng, Ming Chen, Sheng Bi, Zachary A. H. Goodwin, Eugene B. Postnikov, Nikolai Brilliantov, Michael Urbakh, and Alexei A. Kornyshev, Phys. Rev. X 9, 021024, 6 May 2019
  • Pressure statistics from the path integral for Darcy flow through random porous media, Marise J E Westbroek, Gil-Arnaud Coche, Peter R King and Dimitri D Vvedensky, J. Phys. A: Math. Theor. 52, 185001, 4 April 2019
  • First-Principles Study of Ferroelastic Twins in Halide Perovskites, Andrew R. Warwick, Jorge Iniguez, Peter D. Haynes, and Nicholas C. Bristowe, J. Phys. Chem. Lett., 2019, 10, pp 1416-1421, 11 March 2019
  • A perspective on topological nanophotonics: Current status and future challenges, Marie S.Rider, Samuel J. Palmer, Simon R. Pocock, Xiaofei Xiao, Paloma Arroyo Huidobro and Vincenzo Giannini, Journal of Applied Physics 125, 120901, 22 March 2019
  • Singular graphene metasurfaces. Emanuele Galiffi, John Pendry and Paloma Arroyo Huidobro, EPJ Appl. Metamat. 6, 10 (2019), 22 February 2019
  • Embrittlement of an elasto-plastic medium by an inclusion. Luca Cimbaro, Adrian P. Sutton, Daniel S. Balint, Anthony T. Paxton and Mark C. Hardy, International Journal of Fracture, DOI: 10.1007/s10704-019-00344-2, 19 February 2019
  • A unified theory for brittle and ductile shear mode fracture. Luca Cimbaro, Philosophical Magazine, DOI: 10.1080/14786435.2019.1584413, 11 February 2019
  • Molecular Simulation of the Adsorption and Diffusion in Cylindrical Nanopores: Effect of Shape and Fluid-Solid Interactions. Harry Cardenas and Erich A. Muller, Molecules 2019, 24(3), 608, February 2019


  • Linear stability analysis of morphodynamics during tissue regeneration in plants. Anne-Mieke Reijne, Ignacio Bordeu, Gunnar Pruessner, and Giovanni Sena, Journal of Physics D: Applied Physics, Volume 52, Number 8, December 2018
  • Multiscale simulations of critical interfacial failure in carbon nanotube-polymer composites. Jacek R. Golebiowski, James R. Kermode, Arash A. Mostofi, and Peter D. Haynes, J. Chem. Phys. 149, 224102, December 2018
  • Coulomb effects on the photoexcited quantum dynamics of electrons in a plasmonic nanosphere. Alexandra Crai, Andreas Pusch, Doris E. Reiter, Lara Roman Castellanos, Tilmann Kuhn and Ortwin Hess,Physical Review B 98, 165411, October 2018
  • Control of Uniaxial Negative Thermal Expansion in Layered Perovskites by Tuning Layer Thickness. Chris Ablitt, Arash A. Mostofi, Nicholas C. Bristowe, and Mark S. Senn, Front. Chem. 6:455, October 2018
  • Elastic models of dislocations based on atomistic Kanzaki forces. B. Gurrutxaga-Lerma and J. Verschueren, Phys. Rev. B 98, 134104, 11 October 2018
  • Instabilities of High Speed Dislocations. J. Verschueren, B. Gurrutxaga-Lerma, D. S. Balint, A. P. Sutton, and D. Dini, Phys. Rev. Lett. 121, 145502, 2 October 2018
  • Tuning electronic properties of transition-metal dichalcogenides via defect charge. Martik Aghajanian, Arash A. Mostofi and Johannes Lischner, Nature, Scientific Reports 8, 13611, 2018
  • Theory of electrosorption of water from ionic liquids. Yury A. Budkov, Andrei L. Kolesnikov, Zachary A. H. Goodwin, Mikhail G Kiselev, Alexei A. Kornyshev, Electrochimica Acta Vol 84, pp 346-354, September 2018
  • Theory of polymer-electrolyte-composite electroactuator sensors with flat or volume-filling electrodes. Zachary A. H. Goodwin and Alexei A. Kornyshev, Soft Matter 14(39) August 2018
  • Theory of the Double Layer in Water-in-Salt Electrolytes. Michael McEldrew, Zachary A. H. Goodwin, Alexei A. Kornyshev and Martin Z. Bazant, J. Phys. Chem. Lett. 2018, 9, 19, pp 5840-5846, 2018
  • Mechanisms of reinforcement in polymer nanocomposites. Nicola Molinari, Adrian P Sutton and Arash A Mostofi, Physical Chemistry Chemical Physics, 2018
  • Nanoparticle organization controls their potency as universal glues for gels. Nicola Molinari and Stefano Angioletti-Uberti, Nano Letters 18, 6, 3530-3537, 2018
  • Effect of Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: a Molecular Dynamics Study of PEO-LiTFSI, Nicola Molinari, Jonathan P Mailoa, Boris Kozinsky, Chemistry of Materials, 2018
  • Implicit and explicit host effects on excitons in pentacene derivatives. R.J. Charlton, R.M. Fogarty, S. Bogatko, T.J. Zhuehlsdorff, N.D.M. Hine, M. Heeney, A.P. Horsfield and P. D Haynes, The Journal of Chemical Physics 148, 104108, 2018
  • Bulk viscosity of molecular fluids. Frederike Jaeger, Omar K. Matar, and Erich A. Müller, The Journal of Chemical Physics 148, 174504, 2018
  • Fluorescence enhancement and strong-coupling in faceted plasmonic nanocavities, Nuttawut Kongsuwan, Angela Demetriadou, Rohit Chikkaraddy, Jeremy J. Baumberg and Ortwin Hess, EPJ Appl. Metamat. 2018, 5, 6, 4 June 2018
  • Theory of microstructured polymer - electrolyte artificial muscles. Zachary A. H. Goodwin, Michael Eikerling, Hartmut Lowen and Alexei A. Kornyshev, Smart Materials and Structure 27(7) May 2018
  • Evaluation of the path integral for flow through random porous media. Marise J. E. Westbroek, Gil-Arnaud Coche, Peter R. King, and Dimitri D. Vvedensky, Phys. Rev. E 97, 042119, 12 April 2018
  • Extended patchy ecosystems may increase their total biomass through self-replication, Mustapha Tlidi, Ignacio Bordeu, Marcel G. Clerc, Daniel Escaff, Ecological Indicators 94 (2018) 534-543, February 2018
  • User's guide to Monte Carlo methods for evaluating path integrals. Marise J. E. Westbroek and Peter R. King, American Journal of Physics Volume 86, Issue 4, 10.119/1.5024926, 2018.
  • Broadband Tunable THz Absorption with Singular Graphene Metasurfaces. Emanuele GaliffiJohn B. Pendry, and Paloma A. Huidobro, ACS Nano 2018, 10.1021/acsnano.7b07951, 11 January 2018.
  • The role of fullerenes in the environmental stability of polymer:fullerene solar cells. 
  • A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule. 


  • Mapping Nanoscale Hotspots with Single-Molecule Emitters Assembled into Plasmonic Nanocavities Using DNA Orignami, Rohit Chikkaraddy, V. A. Turek, Nuttawut Kongsuwan, Felix Benz, Cloudy Carnegie, Tim van de Goor, Bart de Nijs, Angela Demetriadou, Ortwin Hess, Ulrich F. Keyser and Jeremy J. Baumberg, Nano Lett. 2018, 18, 1, 405–411, 22 November 2017
  • Compacted dimensions and singular plasmonic surfaces, J. B. Pendry, Paloma Arroyo Huidobro, Yu Luo, Emanuele Galiffi, Science 358 (6365), 915-917, 17 November 2017.
  • The origin of uniaxial negative thermal expansion in layered perovskites. Chris Abiltt, Sarah Craddock, Mark S. Senn, Arash A. Mostofi, and Nicholas C. Bristowe, npj Computational Materials 3, Article number: 44 (2017), October 2017
  • Suppressed Quenching and Strong-Coupling of Purcell-Enhanced Single-Molecule Emission in Plasmonic Nanocavities, Nuttawut Kongsuwan, Angela Demetriadou, Rohit Chikkaraddy, Felix Benz, Vladimir A. Turek, Ulrich F. Keyser, Jeremy J.Baumberg and Ortwin Hess, S Photonics 2018, 5, 1, 186–191, 18 October 2017
  • Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality, Ying Yang, Beth Rice, Xingyuan Shi, Jochen R. Brandt, Rosenildo Correa da Costa, Gordon J. Hedley, Detlef-M. Smilgies, Jarvist M. Frost, Ifor. D. W. Samuel, Alberto Otero-de-la-Roza, Erin R. Johnson, Kim E. Jelfs, Jenny Nelson, Alasdair J. Campbell, and Matthew J. Fuchter, ACS Nano 2017, 11, 8329−8338, 2017
  • Impact of Aggregation on the Photochemistry of Fullerene Films: Correlating Stability to Triplet Exciton Kinetics, Emily M. Speller, James D. McGettrick, Beth Rice, Andrew M. Telford, Harrison K. H. Lee, Ching-Hong Tan, Catherine S. De Castro, Matthew L. Davies, Trystan M. Watson, Jenny Nelson,§ James R. Durrant, Zhe Li, and Wing C. Tsoi, ACS Appl. Mater. Interfaces 2017, 9, 22739−22747, 2017
  • Underscreening, overscreening and double-layer capacitance, Zachary A.H. Goodwin, Alexei A. Kornyshev, Electrochemistry Communications Vol 82, pp 129-133, July 2017
  • Topological photonics: from crystals to particles, G. Siroki, P. A. Huidobro, V. Giannini, PRB(R) 96, 041408, 25 July 2017
  • Protection of surface states in topological nanopartilces, G. Siroki, P. D. Haynes, D. K. K. Lee, V. Giannini, PRMaterials 1, 024201, 20 July 2017
  • On the temperature dependence of the double layer capacitance of ionic liquids, Ming Chen, Zachary A.H. Goodwin, Guang Feng, A. A. Kornyshev, Journal of Electroanalytical Chemistry Vol 819, pp 347-358, June 2018
  • Non-local model for diffusion-mediated dislocation climb and cavity growth, I. Rovelli, S. L. Dudarev, A. P. Sutton, Volume 103, Pages 121-141, June 2017
  • The injection of a screw dislocation into a crystal: Atomistics vs continuum elastodynamics, J. Verschueren, B. Gurrutxaga-Lerma, D.S. Balint, D. Dini, A.P. Sutton, J. Mech. Phys. Solids 98 (2017) 366–389, 2017
  • The influence of surface roughness and adhesion on particle rolling, R. Wilson, D. Dini, B. van Wachem, Powder Technology 312, 321-333, 1 May 2017
  • Partition-free theory of time-dependent current correlations in nanojunctions in response to an arbitrary time-dependent bias, M. Ridley, A. MacKinnon, L. Kantorovich, Physical Review B 95, 165440, 24 April 2017
  • Stacking faults and the gamma-surface on first-order pyramidal planes in alpha-Ti – A. J. Ready, P. D. Haynes, D. Rugg, and A. P. Sutton, Philosophical Magazine Part A: Materials Science, 0 (0), 1-15 Mar 2017
  • Unravelling the Roles of Size, Ligands, and Pressure in the Piezochromic Properties of CdS Nanocrystals - Niccolò R. C. Corsini, Nicholas D. M. Hine, Peter D. Haynes, and Carla Molteni, Nano Lett., 2017, 17 (2), pp 1042–1048, 27 January, 2017
  • Electrotunable lubricity with ionic liquids: the influence of nanoscale roughness
    Faraday Discussions, A. David, O. Y. Fajardo, A. A. Kornyshev, M. Urbakh, and F. Bresme, 10.1039/C6FD00244G, 23 January 2017 
  • Mean-Field Theory of Electrical Double Layer in Ionic Liquids with Account of Short-Range Correlations, Zachary A.H. Goodwin, Guang Feng, Alexei A. Kornyshev, Electrochimica Acta 225: 190-197, January 2017


  • Molecular Simulation of Gas Solubility in Nitrile Butadiene Rubber — M. Khawaja, A. P. Sutton, and A. A. Mostofi, Journal of Physical Chemistry B, 121 (1), 06 December 2016
  • Molecular Model for HNBR with Tunable Cross-Link Density — N. Molinari, M. Khawaja, A. P. Sutton, and A. A. Mostofi, Journal of Physical Chemistry B, 120 (49), 14 November 2016
  • Single-electron induced surface plasmons on a topological nanoparticle - G. Siroki, D.K.K. Lee, P. D. Haynes & V. Giannini, Nature Communications 7, 12375, 05 August 2016
  • Single-molecule strong coupling at room temperature in plasmonic nano cavities - R. Chikkaraddy, B. de Nijs, F. Benz, and S.J Barrow, O. A Scherman, E. Rosta, A. Demetriadou, P. Fox,  O. Hess and J.J Baumberg, Nature Communications, 535, July 2016
  • Calculation of the current response in a nanojunction for an arbitrary time-dependent bias: application to the molecular wire - M. Ridley, A. MacKinnon and L. Kantorovich, Journal of Physics: Conference Series 696 (1), 012017, May 2016
  • Fluctuating-bias controlled electron transport in molecular junctions - M. Ridley, A. MacKinnon and L. Kantorovich, Phys. Rev. B 93 (20), 205408, May 2016
  • Optimizing Water Transport through Graphene-Based Membranes: Insights from Nonequilibrium Molecular Dynamics - J. Muscatello, F. Jaeger, O. K. Matar, and E. A. Müller, ACS Appl. Mater. Interfaces, 2016, 8 (19), pp 12330–12336April 28, 2016
  • Symmetry Switching of Negative Thermal Expansion by Chemical Control - M. S. Senn, C. A. Murray, X. Luo, L. Wang, F. Huang, S. Cheong, A. Bombardi, C. Ablitt, A. A. Mostofi, and N. C. Bristowe, J. Am. Chem. Soc.2016138 (17)February 29, 2016
  • Hubbard-like Hamiltonians for interacting electrons in s,p, and d orbitals - M. E. A. Coury, S. L. Dudarev, W. M. C. Foulkes, A. P. Horsfield, Pui-Wai Ma, and J. S. Spencer, Physical Review B 93, 075101,  February 2016
  • A numerical study exploring the effect of particle properties on the fluidization of adhesive particles, R. Wilson, D. Dini, B. van Wachem, AlChE Journal 62(5), 1467-1477, 29 January 2016
  • A hybrid-exchange density functional study of the bonding and electronic structure in bulk CuFeS2, Ruth Martínez-Casado, Vincent H.-Y. Chen, Giuseppe Mallia, and Nicholas M. Harrison, The Journal of Chemical Physics 144, 184702, 2016


  • Surface morphology of CuFeS2: The stability of the polar (112)/(-1-1-2) surface pair, Vincent H.-Y. Chen, Giuseppe Mallia, Ruth Martínez-Casado, and Nicholas M. Harrison, Phys. Rev. B 92, 15542621 October 2015
  • Free-energy coarse-grained potential for C60, David Edmunds, Paul Tangney, Dimitri Vvedensky and Matthew Foulkes, The Journal of Chemical Physics Vol 143 No 16, October 2015
  • Pressure-Induced Amporphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles, Niccolo R. C. Corsini, Yuanpeng Zhang, William R. Little, Ali Karatutlu, Osman Ersoy, Peter D. Haynes, Carla Molteni, Nicholas D. M. Hine, Ignacio Hernandez, Jesus Gonzalez, Fernando Rodriguez, Vadim V. Brazhkin, and Andrei Sapelkin, Nano Letters 2015, 15 (11), October 2015
  • An accurate force-displacement law for the modelling of elastic-plastic contacts in discrete element simulations- Daniel Rathbone, Michele Marigo, Daniele Dini and Berend Van Wachem, Powder Technology 282, September 2015
  • The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells -Aurelien M.A. Leggy, Jarvist Moore Frost, Andrew P. McMahon, Victoria Garcia Sakai, W. Kockelmann, ChungHung Law, Xiaoe Li, Fabrizio Foglia, Aron Walsh, Brian C. O’Reagan, Jenny Nelson, João T. Cabral & Piers. R.F.Barnes, Nature Communications, July 2015
  • Current through a multi-lead junction in response to an arbitrary time-dependent bias- M Ridley, A MacKinnon and L Kantorovich, Physical Review B 91, 125433, March 2015


  • Classical Mobility Of Highly Mobile Crystal Defects- T. D. Swinburne, S. L. Dudarev and A. P. Sutton, Physical Review Letters 113, November 2014
  • Thermally-activated Non-Schmid Glide of Screw Dislocations in W using Atomistically-informed Kinetic Monte Carlo Simulations - A Stukowski, D Cereceda, T. D. Swinburne and J M Marian,
    International Journal Of Plasticity, October 2014
  • The effect of molecular fluctuations on hole diffusion within dye monolayers- V. Vaissier, Edoardo Mosconi, Davide Moia, Mariachiara Pastore, Jarvist Moore Frost, Filippo De Angelis, Piers RF Barnes and Jenny Nelson, Chem. Mater, August 2014
  • Optimization algorithm for rate equations with an application to epitaxial graphene- J Posthuma de Boer, I Ford, L Kantorovich, D D Vvedensky, J. Phys.: Condens. Matter 26 185008, 2014
  • Growth of Epitaxial Graphene: Theory and Experiment- H. Tetlow, J. Posthuma de Boer, J. Coraux, I. Ford, D. Vvedensky L. Kantorovich, Physics Reports, March 2014


  • The reorganization energy of intermolecular hole hopping between dyes anchored to surfaces-
    Davide Moia, Valerie Vaissier, Ismael Lo'pez-Duarte, Toma's Torres, Mohammad K. Nazeeruddin, Brian C. O'Regan, Jenny Nelson and Piers R.F. Barnes, Chem. Sci., 2014, 5, 281, October 2013
  • Interionic Interactions in Conducting Nanoconfinement- Rochester, C. C., Lee , A. A., Pruessner, G. and Kornyshev, A. A., ChemPhysChem, 14: 4121–4125 (2013), December 2013
  • Collective transport in the discrete Frenkel-Kontorova model - T. D. SwinburnePhys. Rev. E 88, 012135, July 2013
  • New methods for calculating the free energy of charged defects in solid electrolytes- Horton, R.M.; Haslam, A.J.; Galindo, A.; Jackson, G.; Finnis, M.W, J. Phys.: Condens. Matter 25 395001 (2013), 2013
  • Rapid Ultrasensitive Single Particle Surface-Enhanced Raman Spectroscopy Using Metallic Nanopores - Cecchini, M. P.; Wiener, A.; Turek, V. A.; Chon, H.; Lee, S.; Ivanov, A.P.; McComb, D.W.; Choo, J.; Albrecht, T.; Maier, S.A.; Edel, J.B, Nano Lett., DOI 10.1021/nl402108g (2013), 2013
  • Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory - Corsini, N. R. C.; Greco, A; Hine, N. D. M.; Molteni, C.; and Haynes, P. D, J. Chem. Phys. 139, 084117 (2013), 2013
  • Linear-scaling time-dependent density-functional theory in the linear response formalism-Zuehlsdorff, T.J.; Hine, N.D.M.; Spencer, J.S.; Harrison, N.M.; Riley, D.J.; Haynes, P.D, J. Chem. Phys. 139, 064104 (2013), 2013
  • Surface Plasmons and Nonlocality: A Simple Model - Luo, Y.; Fernandez-Dominguez, A. I.; Wiener, A.; Maier, S.A.; Pendry, J. B, Phys. Rev. Lett. 111, 093901 (2013), August 2013
  • Electron-Energy Loss Study of Nonlocal Effects in Connected Plasmonic Nanoprisms- Wiener, A.; Duan, H.; Bosman, M.; Pendry, J.B.; Horsfield, A.P.; Yang, J.K.W.; Maier, S.A.; Fernandez-Dominguez, A.I, ACS Nano, 2013, DOI: 10.1021/nn402323t, June 2014
  • A dynamic discrete dislocation plasticity method for the simulation of plastic relaxation under shock loading- Gurrutxaga-Lerma, B.; Balint, D.S.; Dini, D.; Eakins, D.E.; Sutton, A.P, Proc. R. Soc. A. 2013 469, 20130141, June 2013
  • Influence of polar medium on the reorganization energy of charge tra nsfer between dyes in a dye sensitized film - Vaissier, V; Barnes, P; Kirkpatrick, J; Nelson, J, Phys Chem Chem Phys. 2013, 15(13), pp 4804-14, April 2013
  • Theory and simulation of the diffusion of kinks on dislocations in bcc metals - Swinburne, T. D, Dudarev, S. L.; Fitzgerald, S. P.; Gilbert, M. R. & Sutton, A. P, Physical Review B, 2013, 87 (6), 064108February 2013


  • Theory of Three-Dimensional Nanocrescent Light Harvesters - Fernández-Domínguez, A I.; Luo, Y; Wiener, A; Pendry, J. B.; Maier, S. A, Nano Lett., 2012, 12 (11), pp 5946–5953, 2012
  • Review: Hydrogen-enhanced localised plasticity&ndash ;a mechanism for hydrogen embrittlement - Majevadia, J, Nuclear Future Magazine, (2012), 8(3) pp 46-51, 2012
  • Nonlocal Effects in the Nanofocus ing Performance o f Plasmonic Tips- Wiener, A.; Fernández-D omínguez, A. I.; Horsfield, A. P.; Pendry, J. B.; Maier, S. A, Nano Letters, 2012, 12 (6), pp 3308–3314, May 2012
  • Control and d ynamic competition of bright and dark lasing states in active nanoplasmonic metamaterials- Wuestner, S; Hamm, J. M.; Pusch, A; Renn, F.; Tsakmakidis, K. L.; Hess, O, Phys. Rev. B, 2012, 85, 201406, May 2012
  • Transformation-Optics Description of Nonlocal Effects in Plasmonic Nanostructures- Fernández-Domínguez, A. I.; Wiener, A.; García-Vidal, F. J.; Maier, S. A.; Pendry, J. B, Phys. Rev. Lett., 2012, 108, 106802, March 2012


  • Plasmonic Sinks for the Selective Removal of Long-Lived States- Kéna-Cohen, S.; Wiener, A.; Sivan, Y; Stavrinou, P.N.; Bradley, D.D.C.; Horsfield, A.P.; Maier, S.A, ACS Nano, 2011, 5 (12), pp 9958–9965, 2011