Hi! I'm a Ph.D. student studying multifunctional molecular materials under Prof. Michael Shatruk and Prof. Naresh Dalal at Florida State University. I'm also interested in data science, particularly applying deep learning to problems in materials science and chemistry.


  • JACS Cover

    I designed the cover for volume 140, issue 32 of JACS, featuring our recent crystal structure prediciton paper. - August 2018
  • News Feature

    Our paper on crystal structure prediction has been featured in several news articles! - July 2018
  • GRC & GRS

    I will be participating in the Gordon Research Conference and Symposium for Conductivity and Magnetism in Molecular Materials 2018. Hope to see you there! - August 2018


  1. Crystal structure prediction via deep learning

    Ryan, K.; Lengyel, J.; Shatruk, M., J. Am. Chem. Soc. ASAP
  2. Directed synthesis and magnetic properties of a hexanuclear ferric cluster

    Lengyel, J.; Stoain, S. A.; Dalal, N.; Shatruk, M., Polyhedron 2018, 151, 446-451
  3. 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.
  4. 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.
  5. 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.
  6. 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.