Jeff Lengyel, PhD

Hi! I'm the Functional Materials Lead at CCDC. I'm interested in applying data science solutions to chemistry problems.I received my Materials Chemistry Ph.D. in 2019 from Florida State University after studying electronic and magnetic properties of molecular materials under Prof. Michael Shatruk and Prof. Naresh Dalal.

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Publications

• An Integrated Approach Combining Experimental, Informatics and Energetic Methods for Solid Form Derisking of PF-06282999
• Structures and magnetic properties of a trinuclear angular [Ni3] and a heptanuclear wheel-like [Ni7] complexes with a Schiff base ligand
• Radical Dimerization in a Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis
• Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine
• From lithium to sodium: design of heterometallic molecular precursors for the NaMO2 cathode materials
• Crystal Structure Prediction via Deep Learning
• Directed synthesis and magnetic properties of a hexanuclear ferric cluster
• Power of Three: Incremental Increase in the Ligand Field Strength of N-Alkylated 2,2′-Biimidazoles Leads to Spin Crossover in Homoleptic Tris-Chelated Fe(II) Complexes
• Heteroleptic Fe(II) Complexes with N4S2 Coordination as a Platform for Designing Spin-Crossover Materials
• Competitive coordination aggregation for V-shaped [Co3] and disc-like [Co7] complexes: synthesis, magnetic properties and catechol oxidase activity
• Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis