Publications

34. E. H. Wolpert, A. Tarzia, Y. Zhu, K. E. Jelfs
"The role of shape and interaction directionality in the crystalline phase behaviour of octahedral metal-organic cages"
Nature Commun., , , (2026) DOI.

33. S. Walia, M. Venkateswarulu, G. Markiewicz, A. Tarzia, A. R. Stefankiewicz
"Light- and metal-controlled structural reorganization in a Pd(ii) double-walled triangle"
Inorg. Chem. Front, , , (2026) DOI.

32. J. T. F. Dobson, J. A. Davies, T. K. Ronson, A. Tarzia, X. Sun, K. E. Jelfs, J. R. Nitschke
"Assembly of a bifurcated knot via sequence selective imine condensation"
Nature Synthesis, , , (2026) DOI.

31. A. Tarzia, G. M. Pavan
"Unbiased Structure Prediction of Sophisticated Cage Structures"
Angew. Chem. Int. Ed., 65, e9267462, (2026) DOI.

30. S. Martino, M. Becchi, A. Tarzia, D. Rapetti, C. Lionello, G. M. Pavan
"dynsight: An open Python platform for simulation and experimental trajectory data analysis"
J. Chem. Phys., 164, 084114, (2026) DOI.

29. E. Benchimol, J. Tessarolo, A. Tarzia, H. Lee, A. Jouaiti, M. W. Hosseini, G. M. Pavan, G. H. Clever
"Adjacent backbone interactions control self-sorting of chiral heteroleptic Pd3A2B4 isosceles triangles and Pd4A4C4 pseudo-tetrahedra"
Chem, 12, 102780, (2025) DOI.

28. A. Tarzia, W. Shan, V. H. Posligua, C. Cox, L. Male, B. Egleston, R. L. Greenaway, K. E. Jelfs, J. E. M. Lewis
"A Combined Experimental and Computational Exploration of Heteroleptic cis-Pd2L2L’2 Coordination Cages through Geometric Complementarity"
Chem. Eur. J., 31, e202403336, (2025) DOI.

27. P. Molinska, A. Tarzia, L. Male, K. E. Jelfs, J. E. M. Lewis
"Diastereoselective Self-Assembly of Low-Symmetry PdnL2n Nanocages through Coordination-Sphere Engineering"
Angew. Chem. Int. Ed., 135, e202315451, (2023) DOI.

26. A. Tarzia, E. H. Wolpert, K. E. Jelfs, G. M. Pavan
"Systematic exploration of accessible topologies of cage molecules via minimalistic models"
Chem. Sci., 14, 12506-12517, (2023) DOI.

25. N. C. Bruno, R. Mathias, Y. J. Lee, G. Zhu, Y.-H. Ahn, N. D. Rangnekar, J. R. Johnson, S. Hoy, I. Bechis, A. Tarzia, K. E. Jelfs, B. A. McCool, R. Lively, M. G. Finn
"Solution-processable polytriazoles from spirocyclic monomers for membrane-based hydrocarbon separations"
Nat. Mater., 22, 1540-1547, (2023) DOI.

24. E. H. Wolpert, A. Tarzia, K. E. Jelfs
"The effect of disorder in multi-component covalent organic frameworks"
Chem. Commun., 59, 6909-6912, (2023) DOI.

23. R. J. Kearsey, A. Tarzia, M. A. Little, M. C. Brand, R. Clowes, K. E. Jelfs, A. I. Cooper, R. L. Greenaway
"Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage"
Chem. Commun., 59, 3731-3734, (2023) DOI.

22. J. A. Davies, A. Tarzia, T. K. Ronson, F. Auras, K. E. Jelfs, J. R. Nitschke
"Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn8L6 Self-Assembled Structures"
Angew. Chem. Int. Ed., 62, e202217987, (2023) DOI.

21. V. Anipa, A. Tarzia, K. E. Jelfs, E. V. Alexandrov and M. A. Addicoat
"Pore topology analysis in porous molecular systems"
Royal Society Open Science, 10, 220813, (2023) DOI.

20. I. Bechis, A. F. Sapnik, A. Tarzia, E. H. Wolpert, M. A. Addicoat, D. A. Keen, T. D. Bennett, K. E. Jelfs
"Modeling the Effect of Defects and Disorder in Amorphous Metal-Organic Frameworks"
Chem. Mater., 34, 9042-9054, (2022) DOI.

19. A. M. Mroz, V. Posligua, A. Tarzia, E. H. Wolpert, K. E. Jelfs
"Into the Unknown: How Computation Can Help Explore Uncharted Material Space"
J. Am. Chem. Soc., 144, 18730-18743, (2022) DOI.

18. R.-J. Li, A. Tarzia, V. Posligua, K. E. Jelfs, N. Sanchezc, A. Marcusc, A. Baksid, G. H. Clever, F. Fadaei-Tirani, K. Severin
"Orientational self-sorting in cuboctahedral Pd cages"
Chem. Sci., 13, 11912-11917, (2022) DOI.

17. S. A. Boer, L. Conte, A. Tarzia, M. T. Huxley, M. G. Gardiner, D. R. T. Appadoo, C. Ennis, C. J. Doonan, C. Richardson, N. G. White
"Water Sorption Controls Extreme Single-Crystal-to-Single Crystal Molecular Reorganization in Hydrogen Bonded Organic Frameworks"
Chem. Eur. J., 28, e202201929, (2022) DOI.

16. A. Tarzia, K. E. Jelfs
"Unlocking the computational design of metal–organic cages"
Chem. Commun., 58, 3717-3730, (2022) DOI.

15. A. Kai, B. D. Egleston, A. Tarzia, R. Clowes, M. E. Briggs, K. E. Jelfs, A. I. Cooper, R. L. Greenaway
"Modular Type III Porous Liquids Based on Porous Organic Cage Microparticles"
Adv. Funct. Mater., 31, 2106116, (2021) DOI.

14. A. Tarzia, J. E. M. Lewis, and K. E. Jelfs
"High-throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design"
Angew. Chem. Int. Ed., 60, 20879-20887, (2021) DOI.

13. Y.-Q. Zou, D. Zhang, T. K. Ronson, A. Tarzia, Z. Lu, K. E. Jelfs, and J. R. Nitschke
"Sterics and Hydrogen Bonding Control Stereochemistry and Self-Sorting in BINOL-Based Assemblies"
J. Am. Chem. Soc., 143, 9009-9015, (2021) DOI.

12. L. Turcani, A. Tarzia, F. Szczypiński, and K. E. Jelfs
"stk: An Extendable Python Framework for Automated Molecular and Supramolecular Structure Assembly and Discovery"
J. Chem. Phys., 154, 214102, (2021) DOI.

11. K. A. Thompson, R. Mathias, D. Kim, J. Kim, N. Rangnekar, J. R. Johnson, S. J. Hoy, I. Bechis, A. Tarzia, K. E. Jelfs, B. A. McCool, A. G. Livingston, R. P. Lively, and M. G. Finn
"N-Aryl–linked Spirocyclic Polymers for Membrane Separations of Complex Hydrocarbon Mixtures"
Science, 369, 310-315, (2020) DOI.

10. J. E. M. Lewis, A. Tarzia, A. J. P. White, and K. E. Jelfs
"Conformational Control of Pd2L4 Assemblies with Unsymmetrical Ligands"
Chem. Sci., 11, 677-683, (2020) DOI.

9. S. A. Boer, M. Morshedi, A. Tarzia, C. J. Doonan, and N. G. White
"Molecular Tectonics: A Node‐and‐Linker Building Block Approach to a Family of Hydrogen‐Bonded Frameworks"
Chem. Eur. J., 25, 10006-10012, (2019) DOI.

8. W. Liang, H. Xu, F. Carraro, N. K. Maddigan, Q. Li, S. G. Bell, D. M. Huang, A. Tarzia, M. B. Solomon, H. Amenitsch, L. Vaccari, C. J. Sumby, P. Falcaro, and C. J. Doonan
"Enhanced Activity of Enzymes Encapsulated in Hydrophilic Metal--Organic Frameworks"
J. Am. Chem. Soc., 141, 2348-2355, (2019) DOI.

7. E. Astria, M. Thonhofer, R. Ricco, W. Liang, A. Chemelli, A. Tarzia, K. Alt, C. E. Hagemeyer, J. Rattenberger, H. Schroettner, T. Wrodnigg, H. Amenitsch, D. M. Huang, C. J. Doonan, and P. Falcaro
"Carbohydrates@MOFs"
Mater. Horiz., 6, 969–977, (2019) DOI.

6. A. Tarzia, M. Takahashi, P. Falcaro, A. W. Thornton, C. J. Doonan, and D. M. Huang
"High-Throughput Screening of Metal--Organic Frameworks for Macroscale Heteroepitaxial Alignment"
ACS Appl. Mater. Interfaces, 10, 40938-40950, (2018) DOI.

5. N. Maddigan, A. Tarzia, D. M. Huang, C. J. Sumby, S. G Bell, P. Falcaro, and C. J. Doonan
"Protein Surface Functionalisation as a General Strategy for Facilitating Biomimetic Mineralisation of ZIF-8"
Chem. Sci., 9, 4217-4223, (2018) DOI.

4. B. Sun, H. M. Southam, J. A. Butler, R. K. Poole, A. Burgun, A. Tarzia, R. F. Keene, and J. G Collins
"Synthesis, Isomerisation and Biological Properties of Mononuclear Ruthenium Complexes Containing the Bis[4(4'-methyl-2,2'-bipyridyl)]-1,7-heptane Ligand"
Dalton Trans., 47, 2422-2434, (2018) DOI.

3. A. Tarzia, A. W. Thornton, C. J. Doonan, and D. M. Huang
"Molecular Insight into Assembly Mechanisms of Porous Aromatic Frameworks"
J. Phys. Chem. C, 121, 16381-16392, (2017) DOI.

2. M. Morshedi, M. Thomas, A. Tarzia, C. J. Doonan, and N. G. White
"Supramolecular Anion Recognition in Water: Synthesis of Hydrogen-bonded Supramolecular Frameworks"
Chem. Sci., 8, 3019-3025, (2017) DOI.

1. M. Huxley, C. J. Coghlan, A. Burgun, A. Tarzia, K. Sumida, C. J. Sumby, and C. J. Doonan
"Site-specific Metal and Ligand Substitutions in a Microporous Mn2+-based Metal-organic Framework"
Dalton Trans., 45, 4431-4438, (2016) DOI.

1. Artificial Intelligence Applied to the Prediction of Organic Materials in Machine Learning in Chemistry: The Impact of Artificial Intelligence
S. Bennett, A. Tarzia, M. A. Zwijnenburg, and K. E. Jelfs.
Chapter: 12. (2020) DOI.