Publications

3. dynsight: an Open Python Platform for Simulation and Experimental Trajectory Data Analysis
S. Martino, M. Becchi, A. Tarzia, D. Rapetti, G. M. Pavan
arXiv. DOI.

2. Predicting stable cage structures by enumerating stoichiometry and topology
A. Tarzia, G. M. Pavan
ChemRxiv. DOI.

1. The role of shape and interaction directionality on the crystalline phase behaviour of octahedral metal organic cages
E. H. Wolpert, A. Tarzia, Y. Zhu, K. E. Jelfs
ChemRxiv. DOI.

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

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

27. Diastereoselective Self-Assembly of Low-Symmetry PdnL2n Nanocages through Coordination-Sphere Engineering
P. Molinska, A. Tarzia, L. Male, K. E. Jelfs, J. E. M. Lewis
Angewandte Chemie International Edition. (2023) DOI.

26. Systematic exploration of accessible topologies of cage molecules via minimalistic models
A. Tarzia, E. H. Wolpert, K. E. Jelfs, G. M. Pavan
Chemical Science. (2023) DOI.

25. Solution-processable polytriazoles from spirocyclic monomers for membrane-based hydrocarbon separations
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
Nature Materials. (2023) DOI.

24. The effect of disorder in multi-component covalent organic frameworks
E. H. Wolpert, A. Tarzia, K. E. Jelfs
Chemical Communications. (2023) DOI.

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

22. Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn8L6 Self-Assembled Structures
J. A. Davies, A. Tarzia, T. K. Ronson, F. Auras, K. E. Jelfs, J. R. Nitschke
Angewandte Chemie International Edition. (2023) DOI.

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

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

19. Into the Unknown: How Computation Can Help Explore Uncharted Material Space
A. M. Mroz, V. Posligua, A. Tarzia, E. H. Wolpert, K. E. Jelfs
Journal of the American Chemical Society. (2022) DOI.

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

17. Water Sorption Controls Extreme Single-Crystal-to-Single Crystal Molecular Reorganization in Hydrogen Bonded Organic Frameworks
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
Chemistry - A European Journal. (2022) DOI.

16. Unlocking the computational design of metal–organic cages
A. Tarzia, K. E. Jelfs
Chemical Communications. (2022) DOI.

15. Modular Type III Porous Liquids Based on Porous Organic Cage Microparticles
A. Kai, B. D. Egleston, A. Tarzia, R. Clowes, M. E. Briggs, K. E. Jelfs, A. I. Cooper, R. L. Greenaway
Advanced Functional Materials. (2021) DOI.

14. High-throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design
A. Tarzia, J. E. M. Lewis, and K. E. Jelfs
Angewandte Chemie International Edition. (2021) DOI.

13. Sterics and Hydrogen Bonding Control Stereochemistry and Self-Sorting in BINOL-Based Assemblies
Y.-Q. Zou, D. Zhang, T. K. Ronson, A. Tarzia, Z. Lu, K. E. Jelfs, and J. R. Nitschke
Journal of the American Chemical Society. (2021) DOI.

12. stk: An Extendable Python Framework for Automated Molecular and Supramolecular Structure Assembly and Discover
L. Turcani, A. Tarzia, F. Szczypiński, and K. E. Jelfs
Journal of Chemical Physics. (2021) DOI.

11. N-Aryl–linked Spirocyclic Polymers for Membrane Separations of Complex Hydrocarbon Mixtures
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
Science. (2020) DOI.

10. Conformational Control of Pd2L4 Assemblies with Unsymmetrical Ligands
J. E. M. Lewis, A. Tarzia, A. J. P. White, and K. E. Jelfs
Chemical Science. (2020) DOI.

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

8. Enhanced Activity of Enzymes Encapsulated in Hydrophilic Metal--Organic Frameworks
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
Journal of the American Chemical Society. (2019) DOI.

7. Carbohydrates@MOFs
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
Materials Horizons. (2019) DOI.

6. High-Throughput Screening of Metal--Organic Frameworks for Macroscale Heteroepitaxial Alignment
A. Tarzia, M. Takahashi, P. Falcaro, A. W. Thornton, C. J. Doonan, and D. M. Huang
ACS Applied Materials & Interfaces. (2018) DOI.

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

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

3. Molecular Insight into Assembly Mechanisms of Porous Aromatic Frameworks
A. Tarzia, A. W. Thornton, C. J. Doonan, and D. M. Huang
The Journal of Physical Chemistry C. (2017) DOI.

2. Supramolecular Anion Recognition in Water: Synthesis of Hydrogen-bonded Supramolecular Frameworks
M. Morshedi, M. Thomas, A. Tarzia, C. J. Doonan, and N. G. White
Chemical Science. (2017) DOI.

1. Site-specific Metal and Ligand Substitutions in a Microporous Mn2+-based Metal-organic Framework
M. Huxley, C. J. Coghlan, A. Burgun, A. Tarzia, K. Sumida, C. J. Sumby, and C. J. Doonan
Dalton Transactions. (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.