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Publications 2019
Single Cell RNA-Sequencing Reveals Plasmalemma Vesicle-Associated Protein (PLVAP) as a Novel Target with a Role in New Blood Vessel Formation in the Ischaemic Heart
EG Solomonidis et al. ,
J. Vascular Res. 56 103 (2019)
Single Cell Transcriptome Analyses Reveal Novel Targets Modulating Cardiac Neovascularisation by Resident Endothelial Cells Following Myocardial Infarction
Z Li et al. ,
J. Vascular Res. 56 17 (2019)
A structural theory of everything
BD Josephson,
Cosmos and History 15 225 - 235 (2019)
Prediction of equilibrium isotopic fractionation of the gypsum/bassanite/water system using first-principles calculations
T Liu, E Artacho, F Gázquez, G Walters and D Hodell,
Geochim. Cosmochim. Ac. 244 1 - 11 (2019)
Strongly coloured thiocyanate frameworks with perovskite-analogue structures
MJ Cliffe, EN Keyzer, MT Dunstan, S Ahmad, MFL De Volder, F Deschler, AJ Morris and CP Grey,
Chem. Sci. 10 793 - 801 (2019)
Topological marker currents in Chern insulators
MD Caio, G Möller, NR Cooper and MJ Bhaseen,
Nat. Phys. 15 257 - 261 (2019)
Thioether-Functionalized Quinone-Based Resorcin[4]arene Cavitands: Electroswitchable Molecular Actuators
JV Milić, T Schneeberger, M Zalibera, KZ Milowska, QK Ong, N Trapp, L Ruhlmann, C Boudon, C Thilgen and F Diederich,
Helvetica Chimica Acta 102 hlca.201800225 (2019)
Multiple superionic states in helium–water compounds
C Liu, H Gao, Y Wang, RJ Needs, CJ Pickard, J Sun, HT Wang and D Xing,
Nat. Phys. 1 - 6 (2019)
Metadata, Surveillance and the Tudor State
R Ahnert and SE Ahnert,
History Workshop 87 27 - 51 (2019)
Role of Electron-Phonon Coupling in the Thermal Evolution of Bulk Rashba-Like Spin-Split Lead Halide Perovskites Exhibiting Dual-Band Photoluminescence
JA Steele et al. ,
ACS Energy Lett. 4 2205 - 2212 (2019)
Long-range ballistic propagation of carriers in methylammonium lead iodide perovskite thin films
J Sung et al. ,
Nat. Phys. 1 - 6 (2019)
Optical back-action evading measurement of mechanical oscillator
L Qiu, I Shomroni, D Malz, A Nunnenkamp and TJ Kippenberg,
Optics InfoBase Conference Papers Part F165-QIM 2019 s1c.2 (2019)
Metabolic regulation of pluripotency and germ cell fate through α-ketoglutarate.
J Tischler, WH Gruhn, J Reid, E Allgeyer, F Buettner, C Marr, F Theis, BD Simons, L Wernisch and MA Surani,
Embo J. 38 e99518 (2019)
Competition for Mitogens Regulates Spermatogenic Stem Cell Homeostasis in an Open Niche.
Y Kitadate et al. ,
Cell Stem Cell 24 79 - 92.e6 (2019)
Halogen-bonded cocrystallization with phosphorus, arsenic and antimony acceptors.
K Lisac, F Topić, M Arhangelskis, S Cepić, PA Julien, CW Nickels, AJ Morris, T Friščić and D Cinčić,
Nature Comm. 10 61 (2019)
Prediction of pressure-induced stabilization of noble-gas-atom compounds with alkali oxides and alkali sulfides
H Gao, J Sun, CJ Pickard and RJ Needs,
Phys. Rev. Mat. 3 015002 (2019)
Slow growth of entanglement and out-of-time-order correlators in
integrable disordered systems
M McGinley, A Nunnenkamp and J Knolle,
Phys. Rev. Lett. 122 020603 (2019)
Direct evaluation of the force constant matrix in quantum Monte Carlo
YYF Liu, B Andrews and GJ Conduit,
J. Chem. Phys. 150 034104 (2019)
Non-equilibrium absorbing state phase transitions in discrete-time quantum cellular automaton dynamics on spin lattices
I Lesanovsky, K Macieszczak and JP Garrahan,
Quantum Sci. and Tech. 4 02LT02 (2019)
Ab initio thermodynamics of liquid and solid water.
B Cheng, EA Engel, J Behler, C Dellago and M Ceriotti,
P. Natl Acad. Sci. USA 116 1110 - 1115 (2019)
Structural and vibrational properties of lithium under ambient conditions within density functional theory
M Hutcheon and R Needs,
Phys. Rev. B 99 014111 (2019)
Widespread inter-individual gene expression variability in Arabidopsis thaliana.
S Cortijo, Z Aydin, S Ahnert and JC Locke,
Molecular Systems Biology 15 e8591 (2019)
A single-cell molecular map of mouse gastrulation and early organogenesis.
B Pijuan-Sala et al. ,
Nature 566 490 - 495 (2019)
Modular decomposition of protein structure using community detection
WP Grant and SE Ahnert,
J. Complex Networks 7 101 - 113 (2019)
Dynamics and energy landscape of the jammed spin-liquid
T Bilitewski, ME Zhitomirsky and R Moessner,
Phys. Rev. B 99 054416 (2019)
Broadband saturable absorption and excitonexciton annihilation in MoSe <inf>2</inf> composite thin films
G Wang, AA Baker-Murray, X Zhang, D Bennett, JJ Wang, J Wang, K Wang and WJ Blau,
Opt. Mater. Express 9 483 - 496 (2019)
First-principles anharmonic vibrational study of the structure of calcium silicate perovskite under lower mantle conditions
JCA Prentice, R Maezono and RJ Needs,
Phys. Rev. B 99 064101 (2019)
Role of defects in determining the magnetic ground state of ytterbium titanate.
DF Bowman et al. ,
Nature Comm. 10 637 (2019)
Theory of phonon-assisted luminescence in solids: Application to hexagonal boron nitride
E Cannuccia, B Monserrat and C Attaccalite,
Phys. Rev. B 99 081109 (2019)
Peristaltic elastic instability in an inflated cylindrical channel
N Cheewaruangroj, K Leonavicius, S Srinivas and JS Biggins,
Phys. Rev. Lett. 122 068003 (2019)
Peristaltic elastic instability in an inflated cylindrical channel
JS Biggins, N Cheewaruangroj, K Leonavicius and S Srinivas,
Phys. Rev. Lett. (2019)
Imputation of Assay Bioactivity Data Using Deep Learning.
TM Whitehead, BWJ Irwin, P Hunt, MD Segall and GJ Conduit,
J. Chem. Inf. Model. acs.jcim.8b00768 (2019)
The proneural wave in the Drosophila optic lobe is driven by an excitable reaction-diffusion mechanism.
DJ Jörg, EE Caygill, AE Hakes, EG Contreras, AH Brand and BD Simons,
Elife 8 (2019)
Classification of topological insulators and superconductors out of
equilibrium
M McGinley and NR Cooper,
Phys. Rev. B 99 075148 (2019)
First-principles study of localized and delocalized electronic states in crystallographic shear phases of niobium oxide
CP Koçer, KJ Griffith, CP Grey and AJ Morris,
Phys. Rev. B 99 075151 (2019)
Ligand biological activity predicted by cleaning positive and negative chemical correlations.
AA Lee, Q Yang, A Bassyouni, CR Butler, X Hou, S Jenkinson and DA Price,
P. Natl Acad. Sci. USA 116 3373 - 3378 (2019)
Area-Selective Atomic Layer Deposition of ZnO by Area Activation Using Electron Beam-Induced Deposition
A Mameli, B Karasulu, MA Verheijen, B Barcones, B Macco, AJM Mackus, WMME Kessels and F Roozeboom,
Chem. Mater. 31 1250 - 1257 (2019)
Tunable surface plasmons in Weyl semimetals TaAs and NbAs
G Chiarello, J Hofmann, Z Li, V Fabio, L Guo, X Chen, S Das Sarma and A Politano,
Phys. Rev. B 99 121401 (2019)
Rod motifs in neutron scattering in spin ice
C Castelnovo and R Moessner,
Phys. Rev. B 99 121102 (2019)
Crypt fusion as a homeostatic mechanism in the human colon.
A-M Baker et al. ,
Gut gutjnl-2018-317540 (2019)
Crypt fusion as a homeostatic mechanism in the human colon.
A-M Baker et al. ,
Gut (2019)
Intratumoral genetic and functional heterogeneity in pediatric glioblastoma.
M Hoffman et al. ,
Cancer Research canres.3441.2018 (2019)
Theory of mechanochemical patterning in biphasic biological tissues.
P Recho, A Hallou and E Hannezo,
P. Natl Acad. Sci. USA 116 5344 - 5349 (2019)
Topological bands for ultracold atoms
NR Cooper, J Dalibard and IB Spielman,
Rev. Mod. Phys. 91 015005 (2019)
Nuclear Magnetic Resonance Spectroscopy as a Dynamical Structural Probe of Hydrogen under High Pressure.
B Monserrat, SE Ashbrook and CJ Pickard,
Phys. Rev. Lett. 122 135501 (2019)
Probabilistic neural network identification of an alloy for direct laser deposition
BD Conduit, T Illston, S Baker, DV Duggappa, S Harding, HJ Stone and GJ Conduit,
Mater. Des. 168 107644 (2019)
Vorticity and quantum turbulence in the merging of superfluid helium nanodroplets
JM Escartin, F Ancilotto, M Barranco and M Pi,
Phys. Rev. B 99 140505 (2019)
Structure prediction drives materials discovery
AR Oganov, CJ Pickard, Q Zhu and RJ Needs,
Nat. Rev. Mater. 4 331 - 348 (2019)
Coherence, entanglement, and quantumness in closed and open systems with conserved charge, with an application to many-body localization
K Macieszczak, E Levi, T Macrì, I Lesanovsky and JP Garrahan,
Phys. Rev. A 99 052354 (2019)
Optical backaction-evading measurement of a mechanical oscillator.
I Shomroni, L Qiu, D Malz, A Nunnenkamp and TJ Kippenberg,
Nature Comm. 10 2086 (2019)
Large-Scale Study of Hydration Environments through Hydration Sites.
BWJ Irwin, S Vukovic, MC Payne and DJ Huggins,
J. Phys. Chem. B acs.jpcb.9b02490 (2019)
Prediction of the near-IR spectra of ices by ab initio molecular dynamics.
R Escribano, PC Gómez, B Maté, G Molpeceres and E Artacho,
Phys. Chem. Chem. Phys. 21 9433 - 9440 (2019)
Pattern selection when a layer buckles on a soft substrate.
N Cheewaruangroj and JS Biggins,
Soft Matter 15 3751 - 3770 (2019)
Computational Fluorine Scanning Using Free-Energy Perturbation.
AD Wade, A Rizzi, Y Wang and DJ Huggins,
J. Chem. Inf. Model. acs.jcim.9b00228 (2019)
Tenfold way and many-body zero modes in the Sachdev-Ye-Kitaev model
J Behrends, JH Bardarson and B Beri,
Phys. Rev. B 99 195123 (2019)
Strictly local tensor networks for topological insulators with short-range interactions
S Yin, NR Cooper and B Béri,
Phys. Rev. B 99 195125 (2019)
A Large Scale Study of Hydration Environments Through Hydration Sites
B Irwin, D Huggins, S Vukovic and M Payne,
J. Phys. Chem. B 123 42220 - 4229 (2019)
Dissipation-Induced Instabilities of a Spinor Bose-Einstein Condensate Inside an Optical Cavity.
EIR Chiacchio and A Nunnenkamp,
Phys. Rev. Lett. 122 193605 (2019)
Identification of a regeneration-organizing cell in the Xenopus tail.
C Aztekin, TW Hiscock, JC Marioni, JB Gurdon, BD Simons and J Jullien,
Science 364 653 - 658 (2019)
Quantification of Crypt and Stem Cell Evolution in the Normal and Neoplastic Human Colon.
A-M Baker et al. ,
Cell Rep. 27 2524 (2019)
Lgr5+ stem/progenitor cells reside at the apex of a heterogeneous embryonic hepatoblast pool.
N Prior, CJ Hindley, F Rost, E Meléndez, WWY Lau, B Göttgens, S Rulands, BD Simons and M Huch,
Development dev.174557 (2019)
Tail-regression estimator for heavy-tailed distributions of known tail indices and its application to continuum quantum Monte Carlo data.
PL Ríos and GJ Conduit,
Phys. Rev. E 99 063312 (2019)
Tracing the origin of adult intestinal stem cells.
J Guiu et al. ,
Nature 570 107 - 111 (2019)
Evolution of interface binding strengths in simplified model of protein quaternary structure.
AS Leonard and SE Ahnert,
PLOS Comp. Bio. 15 e1006886 (2019)
Communal pairing in spin-imbalanced Fermi gases
DCW Foo, TM Whitehead and GJ Conduit,
Europhys. Lett. 126 67003 (2019)
The Physics of Mind and Thought
B Josephson,
Activitas Nervosa Superior 61 86 - 90 (2019)
Multiscale dynamics of branching morphogenesis.
E Hannezo and BD Simons,
Curr. Opin. Cell Biol. 60 99 - 105 (2019)
Finite temperature optoelectronic properties of BAs from first principles
I Bravić and B Monserrat,
Phys. Rev. Mat. 3 065402 (2019)
Decay rates and energies of free magnons and bound states in dissipative XXZ chains
CD Parmee and NR Cooper,
Phys. Rev. A 99 063615 (2019)
Geometry for evolving topographies of light-responsive plastic sheets
M Warner,
J. Phys. Commun. 3 065005 (2019)
Universal properties of genotype-phenotype maps
SE Ahnert,
Eur. Biophys. J. 48 S49 (2019)
Long-lived nonequilibrium superconductivity in a noncentrosymmetric Rashba semiconductor
V Narayan et al. ,
Phys. Rev. B 100 024504 (2019)
Structure-Mechanical Stability Relations of Metal-Organic Frameworks via Machine Learning
PZ Moghadam et al. ,
Matter 1 219 - 234 (2019)
Computing the self-consistent field in Kohn-Sham density functional theory.
ND Woods, MC Payne and PJ Hasnip,
J. Phys. - Condens. Mat. 31 453001 (2019)
Seeing beyond the light: Vison and photon electrodynamics in quantum spin ice
A Szabo and C Castelnovo,
Phys. Rev. B 100 014417 (2019)
Tracing the cellular dynamics of sebaceous gland development in normal and perturbed states.
MS Andersen et al. ,
Nat. Cell Biol. 21 924 - 932 (2019)
Steady-state superconductivity in electronic materials with repulsive
interactions
O Hart, G Goldstein, C Chamon and C Castelnovo,
Phys. Rev. B 100 060508 (2019)
Conditional dynamics of optomechanical two-tone backaction-evading
measurements
M Brunelli, D Malz and A Nunnenkamp,
Phys. Rev. Lett. 123 093602 (2019)
Unitary circuits of finite depth and infinite width from quantum
channels
S Gopalakrishnan and A Lamacraft,
Phys. Rev. B 100 064309 (2019)
Generalized route to effective field theories for quantum systems with local constraints
A Szabó, G Goldstein, C Castelnovo and AM Tsvelik,
Phys. Rev. B 100 085113 (2019)
Quantum Brownian motion in a quasiperiodic potential
AJ Friedman, R Vasseur, A Lamacraft and SA Parameswaran,
Phys. Rev. B 100 060301 (2019)
Defining the Identity and Dynamics of Adult Gastric Isthmus Stem Cells.
S Han et al. ,
Cell Stem Cell 25 342 - 356.e7 (2019)
Highly conductive doped hybrid carbon nanotube-graphene wires.
S Lepak-Kuc, KZ Milowska, S Boncel, M Szybowicz, A Dychalska, I Jozwik, KK Koziol, M Jakubowska and A Lekawa-Raus,
ACS Applied Materials and Interfaces acsami.9b08198 (2019)
Correlated Quantum Tunneling of Monopoles in Spin Ice
B Tomasello, C Castelnovo, R Moessner and J Quintanilla,
Phys. Rev. Lett. 123 067204 (2019)
Theory of quantum oscillations in quasicrystals: Quantizing spiral Fermi surfaces
S Spurrier and NR Cooper,
Phys. Rev. B 100 081405 (2019)
Molecules with dipoles in periodic boundary conditions in a tetragonal cell.
MJ Rutter,
J. Phys. - Condens. Mat. 31 335901 (2019)
Logarithmic Spreading of Out-of-Time-Ordered Correlators without Many-Body Localization.
A Smith, J Knolle, R Moessner and DL Kovrizhin,
Phys. Rev. Lett. 123 086602 (2019)
Maneuvering the surface chemistry of plasmonic Mg nanoparticles
J Asselin, C Boukouvala, J Biggins and E Ringe,
Abstr. Pap. Am. Chem. S. 258 (2019)
X-rays glimpse solid hydrogen's structure.
B Monserrat and CJ Pickard,
Nature 573 504 - 505 (2019)
Anisotropy of electronic stopping power in graphite
J Halliday and E Artacho,
Phys. Rev. B 100 104112 (2019)
Inhibition of 3-phosphoglycerate dehydrogenase (PHGDH) by indole amides abrogates de novo serine synthesis in cancer cells.
E Mullarky et al. ,
Bioorganic & Medicinal Chem. Lett. 29 2503 - 2510 (2019)
Topological magnon amplification.
D Malz, J Knolle and A Nunnenkamp,
Nature Comm. 10 3937 (2019)
Development and Validation of the Quantum Mechanical Bespoke Protein Force Field.
AEA Allen, MJ Robertson, MC Payne and DJ Cole,
ACS Omega 4 14537 - 14550 (2019)
Brain Networks Reveal the Effects of Antipsychotic Drugs on Schizophrenia Patients and Controls
EK Towlson, PE Vertes, U Muller-Sedgwick and SE Ahnert,
Frontiers in Psychiatry 10 611 (2019)
Au - Ge Alloys for Wide-Range Low-Temperature On-Chip Thermometry
JRA Dann, PC Verpoort, J Ferreira De Oliveira, SE Rowley, A Datta, S Kar-Narayan, CJB Ford, GJ Conduit and V Narayan,
Phys. Rev. Appl. 12 034024 (2019)
Cation Disorder and Lithium Insertion Mechanism of Wadsley-Roth Crystallographic Shear Phases from First Principles.
CP Koçer, KJ Griffith, CP Grey and AJ Morris,
J. Am. Chem. Soc. 141 15121 - 15134 (2019)
Bayesian semi-supervised learning for uncertainty-calibrated prediction of molecular properties and active learning.
Y Zhang and AA Lee,
Chem. Sci. 10 8154 - 8163 (2019)
Dynamical generation of synthetic electric fields for photons in the quantum regime
P Zapletal and A Nunnenkamp,
Quantum Sci. and Tech. 4 044001 (2019)
International Union of Basic and Clinical Pharmacology. CVII. Structure and Pharmacology of the Apelin Receptor with a Recommendation that Elabela/Toddler Is a Second Endogenous Peptide Ligand.
C Read, D Nyimanu, TL Williams, DJ Huggins, P Sulentic, RGC Macrae, P Yang, RC Glen, JJ Maguire and AP Davenport,
Pharmacol. Rev. 71 467 - 502 (2019)
Transcriptional regulatory framework for vascular cambium development in Arabidopsis roots.
J Zhang et al. ,
Nat. Plants 5 1033 - 1042 (2019)
Two-tone optomechanical instability in backaction-evading measurements
I Shomroni, A Youssefi, N Sauerwein, L Qiu, P Seidler, D Malz, A Nunnenkamp and TJ Kippenberg,
Phys. Rev. X 9 041022 (2019)
Period-$n$ discrete time crystals and quasicrystals with ultracold
bosons
A Pizzi, J Knolle and A Nunnenkamp,
Phys. Rev. Lett. 123 150601 (2019)
Topological semimetallic phase in PbO2 promoted by temperature
B Peng, I Bravić, JL Macmanus-Driscoll and B Monserrat,
Phys. Rev. B 100 161101 (2019)
Optimization of Protein-Ligand Electrostatic Interactions Using An Alchemical Free-Energy Method.
AD Wade and DJ Huggins,
J. Chem. Theory Comput. acs.jctc.9b00976 (2019)
Molecular Transformer unifies reaction prediction and retrosynthesis across pharma chemical space.
AA Lee, Q Yang, V Sresht, P Bolgar, X Hou, JL Klug-McLeod and CR Butler,
Chemical Communications 55 12152 - 12155 (2019)
Ionic and Electronic Conduction in TiNb2O7.
KJ Griffith et al. ,
J. Am. Chem. Soc. jacs.9b06669 (2019)
Mutations in thyroid hormone receptor α1 cause premature neurogenesis and progenitor cell depletion in human cortical development.
TG Krieger et al. ,
P. Natl Acad. Sci. USA 201908762 (2019)
Electronic heat transport versus atomic heating in irradiated short metallic nanowires
J Grossi, J Kohanoff, TN Todorov, E Artacho and EM Bringa,
Phys. Rev. B 100 155434 (2019)
Floquet dynamics in quantum measurement of mechanical motion
L Qiu, I Shomroni, MA Ioannou, N Piro, D Malz, A Nunnenkamp and TJ Kippenberg,
Phys. Rev. A 100 053852 (2019)
Long-range Coulomb interactions and non-hydrodynamic behaviour in
thermal quenches in spin ice
O Hart, M Haroche and C Castelnovo,
Phys. Rev. B 100 184411 (2019)
Anomalous conductance scaling in strained Weyl semimetals
J Behrends, R Ilan and JH Bardarson,
Phys. Rev. Research 1 032028 (2019)
A cryptic hydrophobic pocket in the polo-box domain of the polo-like kinase PLK1 regulates substrate recognition and mitotic chromosome segregation.
P Sharma et al. ,
Scientific Reports 9 15930 (2019)
NODULE INCEPTION Recruits the Lateral Root Developmental Program for Symbiotic Nodule Organogenesis in Medicago truncatula.
K Schiessl et al. ,
Curr. Biol. 29 3657 - 3668.e5 (2019)
Assessment of Approximate Methods for Anharmonic Free Energies
V Kapil, E Engel, M Rossi and M Ceriotti,
J. Chem. Theory Comput. 15 5845 - 5857 (2019)
A Bayesian approach to NMR crystal structure determination.
EA Engel, A Anelli, A Hofstetter, F Paruzzo, L Emsley and M Ceriotti,
Phys. Chem. Chem. Phys. 21 23385 - 23400 (2019)
Chemical and structural stability of superconducting In5Bi3 driven by spin–orbit coupling
S Chen, R Maezono, J Chen, FM Grosche, CJ Pickard and B Monserrat,
J. Phys.: Materials 3 015007 (2019)
Topological many-body scar states in dimensions 1, 2, and 3
S Ok, K Choo, C Mudry, C Castelnovo, C Chamon and T Neupert,
Phys. Rev. Research 1 033144 (2019)
Dynamical continuum simulation of condensed matter from first-principles
O Strickson, N Nikiforakis and E Artacho,
Phys. Rev. Research 1 033199 (2019)
Predicting physical properties of alkanes with neural networks
P Santak and G Conduit,
Fluid Phase Equilibria 501 112259 (2019)
Electrostatic force driven helium insertion into ammonia and water crystals under pressure
Y Bai, Z Liu, J Botana, D Yan, HQ Lin, J Sun, CJ Pickard, RJ Needs and MS Miao,
Commun. Chem. 2 102 (2019)
Interacting Symmetry-Protected Topological Phases Out of Equilibrium
M McGinley and NR Cooper,
Phys. Rev. Research 1 033204 (2019)
Quantum oscillations in Dirac magnetoplasmons
J Hofmann,
Phys. Rev. B 100 245140 (2019)
P-Band Induced Self-Organization and Dynamics with Repulsively Driven Ultracold Atoms in an Optical Cavity
P Zupancic, D Dreon, X Li, A Baumgartner, A Morales, W Zheng, NR Cooper, T Esslinger and T Donner,
Phys. Rev. Lett. 123 233601 (2019)
Diffusion Monte Carlo study of a spin-imbalanced two-dimensional Fermi gas with attractive interactions
DCW Foo and GJ Conduit,
Phys. Rev. A 100 063602 (2019)
Fractional topological insulator precursors in spin-orbit fermion ladders
RA Santos and B Beri,
Phys. Rev. B 100 235122 (2019)
Critical Response of a Quantum van der Pol Oscillator.
S Dutta and NR Cooper,
Phys. Rev. Lett. 123 250401 (2019)
Comparison of dispersion-corrected exchange-correlation functionals using atomic orbitals
AV Terentjev, LA Constantin, E Artacho and JM Pitarke,
Phys. Rev. B 100 235439 (2019)
Decoration of plasmonic Mg nanoparticles by partial galvanic replacement.
J Asselin, C Boukouvala, Y Wu, ER Hopper, SM Collins, JS Biggins and E Ringe,
J. Chem. Phys. 151 244708 (2019)