Visualization and processing of computed solid-state NMR parameters: MagresView and MagresPython S Sturniolo, TFG Green, RM Hanson, M Zilka, K Refson, P Hodgkinson, ... Solid state nuclear magnetic resonance 78, 64-70, 2016 | 83 | 2016 |
Testing, tracing and isolation in compartmental models S Sturniolo, W Waites, T Colbourn, D Manheim, J Panovska-Griffiths PLoS computational biology 17 (3), e1008633, 2021 | 41 | 2021 |
Ab initio random structure searching of organic molecular solids: assessment and validation against experimental data M Zilka, DV Dudenko, CE Hughes, PA Williams, S Sturniolo, WT Franks, ... Physical chemistry chemical Physics 19 (38), 25949-25960, 2017 | 31 | 2017 |
Breakdown in the efficiency factor of the mixed Magic Sandwich Echo: A novel NMR probe for slow motions S Sturniolo, K Saalwächter Chemical Physics Letters 516 (1-3), 106-110, 2011 | 30 | 2011 |
Weak Intermolecular CH···N Hydrogen Bonding: Determination of 13CH–15N Hydrogen-Bond Mediated J Couplings by Solid-State NMR Spectroscopy and First … AL Webber, JR Yates, M Zilka, S Sturniolo, AC Uldry, EK Corlett, ... The Journal of Physical Chemistry A 124 (3), 560-572, 2019 | 24 | 2019 |
Visualising crystal packing interactions in solid-state NMR: Concepts and applications M Zilka, S Sturniolo, SP Brown, JR Yates The Journal of Chemical Physics 147 (14), 2017 | 24 | 2017 |
Ferroelectric behaviour in solid croconic acid using neutron scattering and first-principles density functional theory S Mukhopadhyay, MJ Gutmann, M Jura, DB Jochym, M Jimenez-Ruiz, ... Chemical Physics 427, 95-100, 2013 | 21 | 2013 |
Computational prediction of muon stopping sites using ab initio random structure searching (AIRSS) L Liborio, S Sturniolo, D Jochym The Journal of Chemical Physics 148 (13), 2018 | 20 | 2018 |
An exact analytical solution for the evolution of a dipole–dipole interacting system under spherical diffusion in magnetic resonance experiments S Sturniolo, M Pieruccini Journal of Magnetic Resonance 223, 138-147, 2012 | 19 | 2012 |
Operando NMR electrochemical gating studies of ion dynamics in PEDOT: PSS D Lyu, Y Jin, PCMM Magusin, S Sturniolo, EW Zhao, S Yamamoto, ... Nature Materials 22 (6), 746-753, 2023 | 18 | 2023 |
Low-temperature magnetic crossover in the topological kagome magnet TbMn6Sn6 C Mielke III, WL Ma, V Pomjakushin, O Zaharko, S Sturniolo, X Liu, ... Communications Physics 5 (1), 107, 2022 | 17 | 2022 |
Reducing the computational cost of NMR crystallography of organic powders at natural isotopic abundance with the help of 13C‐13C dipolar couplings P Thureau, S Sturniolo, M Zilka, F Ziarelli, S Viel, JR Yates, G Mollica Magnetic Resonance in Chemistry 57 (5), 256-264, 2019 | 16 | 2019 |
A Picture of Disorder in Hydrous Wadsleyite—Under the Combined Microscope of Solid-State NMR Spectroscopy and Ab Initio Random Structure Searching D McKay, RF Moran, DM Dawson, JM Griffin, S Sturniolo, CJ Pickard, ... Journal of the American Chemical Society 141 (7), 3024-3036, 2019 | 15 | 2019 |
Modelling the health and economic impacts of population-wide testing, contact tracing and isolation (PTTI) strategies for COVID-19 in the UK T Colbourn, W Waites, J Panovska-Griffiths, D Manheim, S Sturniolo, ... | 14 | 2020 |
Recrystallization processes in cold-crystallized poly (ethylene terephthalate): Interplay between structure evolution and conformational relaxation A Flores, FJ Baltá-Calleja, G Di Marco, S Sturniolo, M Pieruccini Polymer 52 (14), 3155-3162, 2011 | 13 | 2011 |
Testing, tracing and isolation in compartmental models S Sturniolo, W Waites, T Colbourn, D Manheim, J Panovska-Griffiths medRxiv, 2020.05. 14.20101808, 2020 | 12 | 2020 |
A novel analysis for the NMR magic sandwich echo in polymers: application to the α-relaxation in polybutadiene M Pieruccini, S Sturniolo, M Corti, A Rigamonti The European Physical Journal B 88, 1-7, 2015 | 11 | 2015 |
The emergence of cooperative dynamics in polymers as an effect of conformational restrictions: The case of crystallization and an example on heterogeneous confinement P Calandra, M Pieruccini, S Sturniolo Thermochimica acta 522 (1-2), 135-143, 2011 | 11 | 2011 |
Mudirac: A Dirac equation solver for elemental analysis with muonic X‐rays S Sturniolo, A Hillier X‐Ray Spectrometry 50 (3), 180-196, 2021 | 10 | 2021 |
Computational applications of the many-interacting-worlds interpretation of quantum mechanics S Sturniolo Physical Review E 97 (5), 053311, 2018 | 10 | 2018 |