Resume
I design and deploy automated scientific systems that increase throughput, eliminate operational bottlenecks, and convert idle capacity into revenue. My work focuses on measurable performance gains using KPI-driven optimization.
→ +50% sample throughput through equipment automation
→ Reduced administrative workload from ~3 weeks to ~2 hours via full-stack automation
→ 5× growth in external clients through operational scaling and outreach enablement
→ Supported 300+ users across multi-instrument research infrastructure
→ Managed and optimized $10M+ in scientific assets
View: abbreviated resume | full resume
Currently seeking: roles in lab automation, scientific instrumentation, or research infrastructure
Contact: info@patrickszell.cv
Cover Articles
Featured Publications
Halogen Bond Strength in Solids Quantified via Zeeman-Perturbed Nuclear Quadrupole Resonance Spectroscopy
J. Am. Chem. Soc. (2025) 147, 9528-9543. Press release.
Strong quadrupolar nuclei like iodine are effectively invisible to conventional NMR. Using advanced simulation methods and weak magnetic fields, this work demonstrates a sustainable magnetic resonance approach capable of probing these systems. The result is a new, accessible way to study materials in the solid-state structure without high-field infrastructure.
A toolbox for improving the workflow of NMR crystallography
Solid State Nucl. Magn. Reson. (2021) 116, 101761. Case study. Scripts, video tutorials, documentations.
NMR crystallography involves many complex, multi-step workflows that are slow and difficult to get right. This work reduces the entire process to a streamlined, near one-click workflow by automating DFT, data extraction, and visualization for pharmaceutical research. The result is faster, more reliable structural analysis and a step toward automating drug development workflows.
Halogen Bonding as a Supramolecular Dynamics Catalyst
Nature Comm. (2019) 10, 916. Editor’s Highlight. Press release byuOttawa and The Fulcrum. Highly cited article.
Molecules in solids move, and that motion can affect its properties. This work shows that halogen bonding can actively speed up molecular motion, lowering energy barriers far more effectively than traditional interactions like hydrogen bonds. The result: a new way to tune and control dynamics in materials and functional systems.
Book Chapters
Solid-state NMR Characterization of Pharmaceuticals
Magnetic Resonance and its Applications in Drug Formulation and Delivery (2024)
Applications of Nuclear Quadrupole Resonance in Pharmaceuticals
Magnetic Resonance and its Applications in Drug Formulation and Delivery (2024)
Recent Advances in Chlorine, Bromine, and Iodine Solid-State NMR Spectroscopy
Annual Reports in NMR Spectroscopy (2020)
Solid-State NMR Studies of Halogen Bonding
Modern Magnetic Resonance (2016)
Recent Advances in Chlorine, Bromine, and Iodine Solid-State NMR Spectroscopy
Annual Reports in NMR Spectroscopy (2015)
Scientific Articles
Isotopic Identification of Quadrupolar Spin Resonance Lines by Zeeman Perturbation.
J. Phys. Chem. Lett. (2025) 16, 8752-8757.
Practical aspects of Zeeman-perturbed NQR spectroscopy using an adjustable electromagnet.
Solid State Nucl. Magn. Reson. (2025) 138, 102014.
Solid-state multinuclear magnetic resonance and X-ray crystallographic investigation of the P···I halogen bond in a (dicyclohexylphenylphosphine)(1,6-diiodoperfluorohexane) cocrystal. Acta Cryst. (2022) 78b, 557-563.
Exploring the potential of Cl-35 solid-state NMR to characterize disorder in pharmaceutical hydrochlorides.
ChemPhysChem. (2022) 24, e202200558.
Combining X-ray and NMR crystallography to explore the crystallographic disorder in salbutamol oxalate.
Cryst. Growth. Des. (2022) 22, 4696-4707.
Taming the dynamics in a pharmaceutical by cocrystallization: investigating the impact of the conformer by solid-state NMR.
CrystEngComm. (2021) 23, 6859-6870. Front cover article. CrystEngComm HOT article.
A curious case of dynamic disorder in pyrrolidine rings elucidated by NMR crystallography.
Chemical Communications. (2020) 56, 14039-14042.
Solid-state NMR spectroscopy for the analysis of element-based non-covalent interactions.
Coordination Chemistry Reviews. (2020) 411, 213237.
Effects of Secondary Anion on Proton Conduction in a Flexible Cationic Phosphonate Metal-Organic Framework.
Chemistry of Materials. (2020) 32, 679-687.
Rapid Identification of Halogen Bonds in Cocrystalline Powders via I-127 Nuclear Quadrupole Resonance Spectroscopy
Angew. Chem. Int. Ed. (2019) 58, 13479-13485.
Mechanochemical preparations of anion coordinated architectures based on 3-iodoethynylpyridine and 3-iodoethynylbenzoic acid.
ChemistryOpen. (2019) 8, 1328-1336. Cover article.
On the Importance of Accurate Nuclear Quadrupole Moments in NMR Crystallography.
Magn. Reson. in Chemistry. (2019) 57, 265-267.
Cosublimation: A Rapid Route towards Otherwise Inaccessible Halogen Bonded Architectures.
Cryst. Growth Des. (2018) 18, 6227-6238. Front cover article.
Exploring the Potential of Br-79/81 Nuclear Quadrupolar Resonance Spectroscopy to Characterize the Halogen Bond in C-Br···N Supramolecular Assemblies
Chem. Sci. (2018) 9, 4555-4561. Front cover article.
Comparing the Halogen Bond to the Hydrogen Bond by Solid-State NMR: Anion Coordinated Dimers from 2- & 3-Iodoethynylpyridine Salts
Chem. Eur. J. (2018) 24, 11364-11376.
3-(1,2,2-triiodoethenyl)benzoic acid
IUCrData, (2018) 3, x180258.
Mechanochemistry and Cocrystallization of 3-Iodoethynylbenzoic Acid with Nitrogen-Containing Heterocycles: Concurrent Halogen and Hydrogen Bonding
New J. Chem. (2018) 42, 10493-10501. Cover Article & Reviewer recommended article.
Halogen-Bond Driven Self-Assembly of Triangular Macrocycles.
New J. Chem. (2018) 42, 10467-10471.
Highlights from the Faraday Discussion Halogen Bonding in Supramolecular and Solid State Chemistry, July 10-12th 2017, Ottawa, Canada.
Chem. Commun. (2017)53, 11615-11621.
1,3,5-Tri(iodoethynyl)-2,4,6-trifluorobenzene: Halogen-Bonded Frameworks and NMR Spectroscopy Analysis.
Acta Cryst. (2017) B73, 153-162. Scientific commentary.
C-13 and F-19 Solid-State NMR and X-Ray Crystallographic Study of Halogen-Bonded Frameworks Featuring Nitrogen-Containing Heterocycles.
Acta Cryst. (2017) C72, 157-167. Most cited article.
Solid-State Nuclear Magnetic Resonance and Nuclear Quadrupole Resonance as Complementary Tools to Study Quadrupolar Nuclei.
Concepts in Magn. Reson. (2016) 45A, e21412.
Y. Xu, S.A. Southern, P.M.J. Szell, D.L. Bryce. The Role of Solid-State Nuclear Magnetic Resonance in Crystal Engineering.
CrystEngComm. (2016) 18, 5236-5252.
Cl-35 Solid-State NMR and Computational Study of Chlorine Halogen Bond Donors in Single-Component Crystalline Chloronitriles.
J. Phys. Chem. C (2016) 120, 11121-11130.
Interaction of 2,4,6-tris(2-pyrimidyl)-1,3,5-triazine (TPymT) with CoX2 (X = Cl, Br) in water: Trapping of new self-assembled water-chloride/bromide clusters in a [Co(bpca)2]+ host (bpca = bis(2-pyrimidylcarbonyl)amidate anion). New J. Chem. (2015) 39, 7147-7152.