Hi! I'm a research & applications scientist for the CCDC. 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. I'm interested in applying data science solutions to chemistry problems.


  • New Job at the CCDC!

    I have accepted a job as an application scientist at the Cambridge Crystallographic Data Centre starting in May! - April 2019
  • Successful Defense!

    I susccessfully defended my PhD thesis! - April 2019


  1. Radical Dimerization in Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis

    Dragulescu-Andrasi, A.; Filatov, A.S.; Oakley, R.T.; Li, X.; Lekin, K.; Huq, A.; Pak, C.; Greer, S.M.; McKay, J.; Jo, M.; Lengyel, J.; Hung, I.; Maradzike, E.; DePrince, A.E.; Stoian, S.A.; Hill, S.; Hu, Y.; Shatruk, M. J. Am. Chem. Soc. Just-Accepted
  2. Antiferroelectric Phase Transition in a Proton-Transfer Salt of Squaric Acid and 2,3-Dimethylpyrazine

    Lengyel, J.; Wang, X.; Choi, E.S.; Besara, T.; Schönemann, R.U.; Ramakrishna, S.K.; Holleman, J.; Blockmon, A.L.; Hughey, K.D.; Liu, T.; Hudis, J.; Beery, D.; Balicas, L.; McGill, S.A.; Hanson, K.; Mufeldt, J.L.; Siegrist, T.; Dalal, N.; Shatruk, M. J. Am. Chem. Soc. 2019, 141, 41, 16279-16287
  3. From lithium to sodium: Design of heterometallic molecular precursors for the NaMO2 cathode materials

    Han, H.; Zhou, Z.; Carozza, J.; Lengyel, J.; Yao, Y.; Wei, Z.; Dikarev, E.V. ChemComm 2019, 55, 7243-7246
  4. Crystal structure prediction via deep learning

    Ryan, K.; Lengyel, J.; Shatruk, M., J. Am. Chem. Soc. 2018, 140, 32, 10158-10168
  5. Directed synthesis and magnetic properties of a hexanuclear ferric cluster

    Lengyel, J.; Stoain, S. A.; Dalal, N.; Shatruk, M., Polyhedron 2018, 151, 446-451
  6. The power of three: incremental increase in the ligand field strength of n-alkylated 2,2′-biimidazoles leads to spin crossover in homoleptic Fe(II) complexes

    Hrudka, J.; Phan, H.; Lengyel, J.; Rogachev, A.; Shatruk, M., Inorg. Chem. 2018, 57, 5183–5193.
  7. Heteroleptic Fe(II) complexes with N4S2 coordination as a platform for designing of spin-crossover materials

    Yergeshbayeva, S.; Hrudka, J. J.; Lengyel, J.; Erkasov, R.; Stoian, S.; Dragulescu-Andrasi, A.; Shatruk, M. Inorg. Chem. 2017, 56, 11096-11103.
  8. Competitive coordination aggregation for V-shaped [Co3] and disc-like [Co7] complexes: synthesis, magnetic properties and catechol oxidase activity

    Mahapatra, T. S.; Basak, D.; Chand, S.; Lengyel, J.; Shatruk, M.; Bertolasi, V.; Ray, D. Dalton Trans., 2016, 45, 13576-13589.
  9. Two types of nitrito support for μ4-oxido-bridged [Cu4] complexes: synthesis, crystal structures, magnetic properties and DFT analysis

    Pait, M.; Shatruk, M.; Lengyel, J.; Gómez-Coca, S.; Bauzá, A.; Frontera, A.; Ray, D. D. Dalton Trans. 2015, 44, 6107-6117.