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Simone Sturniolo
Simone Sturniolo
STFC - Scientific Computation Department
Verified email at stfc.ac.uk
Title
Cited by
Cited by
Year
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
822016
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
402021
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
312017
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
302011
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
242017
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
232019
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
212013
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
202018
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
192012
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
162023
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
162022
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
162019
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
152019
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, ...
142020
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
132011
Testing, tracing and isolation in compartmental models
S Sturniolo, W Waites, T Colbourn, D Manheim, J Panovska-Griffiths
medRxiv, 2020.05. 14.20101808, 2020
122020
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
112015
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
112011
Mudirac: A Dirac equation solver for elemental analysis with muonic X‐rays
S Sturniolo, A Hillier
X‐Ray Spectrometry 50 (3), 180-196, 2021
92021
Computational prediction of muon stopping sites: A novel take on the unperturbed electrostatic potential method
S Sturniolo, L Liborio
The Journal of Chemical Physics 153 (4), 2020
92020
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