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  1. dynsight : An open Python platform for simulation and experimental trajectory data analysis

    Article • The Journal of Chemical Physics, February 2026, American Institute of Physics

    Dr Andrew Tarzia

  2. The role of shape and interaction directionality on the crystalline phase behaviour of octahedral metal organic cages

    Article • September 2025, American Chemical Society (ACS)

    Dr Andrew Tarzia

  3. A Combined Experimental and Computational Exploration of Heteroleptic cis ‐Pd 2 L 2 L’ ...

    Article • Chemistry - A European Journal, November 2024, Wiley

    Dr Andrew Tarzia

  4. Diastereoselective Self‐Assembly of Low‐Symmetry PdnL2n Nanocages through Coordination‐Sphere Engineering**

    Article • Angewandte Chemie, November 2023, Wiley

    Dr Andrew Tarzia

  5. Diastereoselective Self‐Assembly of Low‐Symmetry Pd n L 2 n ...

    Article • Angewandte Chemie, November 2023, Wiley

    Dr Andrew Tarzia

  6. Solution-processable polytriazoles from spirocyclic monomers for membrane-based hydrocarbon separations

    Article • Nature Materials, October 2023, Springer Science + Business Media

    Dr Andrew Tarzia

  7. Systematic exploration of accessible topologies of cage molecules via minimalistic models

    Article • August 2023, American Chemical Society (ACS)

    Dr Andrew Tarzia

  8. Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn8L6 Self‐Assembled Structures

    Article • Angewandte Chemie, February 2023, Wiley

    Dr Andrew Tarzia

  9. Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn8L6 Self‐Assembled Structures

    Article • Angewandte Chemie, February 2023, Wiley

    Dr Andrew Tarzia

  10. Pore topology analysis in porous molecular systems

    Article • Royal Society Open Science, February 2023, Royal Society Publishing

    Dr Andrew Tarzia

  11. Toy models map possible cage structures

    Article • Chemical Science, January 2023, Royal Society of Chemistry

    Dr Andrew Tarzia

  12. Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage

    Article • Chemical Communications, January 2023, Royal Society of Chemistry

    Dr Andrew Tarzia

  13. The effect of disorder in multi-component covalent organic frameworks

    Article • Chemical Communications, January 2023, Royal Society of Chemistry

    Dr Andrew Tarzia

  14. Modeling the Effect of Defects and Disorder in Amorphous Metal–Organic Frameworks

    Article • Chemistry of Materials, October 2022, American Chemical Society (ACS)

    Dr Andrew Tarzia

  15. Into the Unknown: How Computation Can Help Explore Uncharted Material Space

    Article • Journal of the American Chemical Society, October 2022, American Chemical Society (ACS)

    Dr Andrew Tarzia

  16. Water Sorption Controls Extreme Single‐Crystal‐to‐Single‐Crystal Molecular Reorganization in Hydrogen Bonded Organic Frameworks

    Article • Chemistry - A European Journal, August 2022, Wiley

    Dr Andrew Tarzia

  17. Unlocking the computational design of metal–organic cages

    Article • Chemical Communications, January 2022, Royal Society of Chemistry

    Dr Andrew Tarzia

  18. Orientational self-sorting in cuboctahedral Pd cages

    Article • Chemical Science, January 2022, Royal Society of Chemistry

    Dr Andrew Tarzia

  19. Modular Type III Porous Liquids Based on Porous Organic Cage Microparticles

    Article • Advanced Functional Materials, September 2021, Wiley

    Dr Andrew Tarzia

  20. High‐Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design**

    Article • Angewandte Chemie, August 2021, Wiley

    Dr Andrew Tarzia

  21. High‐Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design**

    Article • Angewandte Chemie, August 2021, Wiley

    Dr Andrew Tarzia

  22. Sterics and Hydrogen Bonding Control Stereochemistry and Self-Sorting in BINOL-Based Assemblies

    Article • Journal of the American Chemical Society, June 2021, American Chemical Society (ACS)

    Dr Andrew Tarzia

  23. stk: An extendable Python framework for automated molecular and supramolecular structure assembly and discovery

    Article • The Journal of Chemical Physics, June 2021, American Institute of Physics

    Dr Kim E Jelfs, Dr Andrew Tarzia

  24. High-throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design

    Article • May 2021, American Chemical Society (ACS)

    Dr Andrew Tarzia

  25. High-throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design

    Article • May 2021, American Chemical Society (ACS)

    Dr Andrew Tarzia

  26. Stk: An Extendable Python Framework for Automated Molecular and Supramolecular Structure Assembly and Discovery

    Article • May 2021, American Chemical Society (ACS)

    Dr Andrew Tarzia

  27. Stk: An Extendable Python Framework for Automated Molecular and Supramolecular Structure Assembly and Discovery

    Article • May 2021, American Chemical Society (ACS)

    Dr Andrew Tarzia

  28. Stk: An Extendable Python Framework for Automated Molecular and Supramolecular Structure Assembly and Discovery

    Article • March 2021, American Chemical Society (ACS)

    Dr Andrew Tarzia

  29. Artificial Intelligence Applied to the Prediction of Organic Materials

    Article • July 2020, Royal Society of Chemistry

    Dr Andrew Tarzia

  30. N -Aryl–linked spirocyclic polymers for membrane separations of complex hydrocarbon mixtures

    Article • Science, July 2020, American Association for the Advancement of Science

    Dr Andrew Tarzia

  31. Conformational control of Pd2L4 assemblies with unsymmetrical ligands

    Article • Chemical Science, January 2020, Royal Society of Chemistry

    Dr Andrew Tarzia

  32. Molecular Tectonics: A Node‐and‐Linker Building Block Approach to a Family of Hydrogen‐Bonded Frameworks

    Article • Chemistry - A European Journal, July 2019, Wiley

    Dr Andrew Tarzia

  33. Molecular Tectonics: A Node-and-Linker Building Block Approach to a Family of Hydrogen Bonded Frameworks

    Article • May 2019, American Chemical Society (ACS)

    Dr Andrew Tarzia

  34. Molecular Tectonics: A Node-and-Linker Building Block Approach to a Family of Hydrogen Bonded Frameworks

    Article • May 2019, American Chemical Society (ACS)

    Dr Andrew Tarzia

  35. Enhanced Activity of Enzymes Encapsulated in Hydrophilic Metal–Organic Frameworks

    Article • Journal of the American Chemical Society, January 2019, American Chemical Society (ACS)

    Dr Andrew Tarzia

  36. Carbohydrates@MOFs

    Article • Materials Horizons, January 2019, Royal Society of Chemistry

    Dr Andrew Tarzia

  37. High-Throughput Screening of Metal–Organic Frameworks for Macroscale Heteroepitaxial Alignment

    Article • ACS Applied Materials & Interfaces, October 2018, American Chemical Society (ACS)

    Dr Andrew Tarzia

  38. Protein surface functionalisation as a general strategy for facilitating biomimetic mineralisation of ZIF-8

    Article • Chemical Science, January 2018, Royal Society of Chemistry

    Dr Andrew Tarzia

  39. Synthesis, isomerisation and biological properties of mononuclear ruthenium complexes containing the bis[4(4′-methyl-2,2′-bipyridyl)]-1,7-heptane ligand

    Article • Dalton Transactions, January 2018, Royal Society of Chemistry

    Dr Andrew Tarzia

  40. Molecular Insight into Assembly Mechanisms of Porous Aromatic Frameworks

    Article • The Journal of Physical Chemistry C, July 2017, American Chemical Society (ACS)

    Dr Andrew Tarzia

  41. Supramolecular anion recognition in water: synthesis of hydrogen-bonded supramolecular frameworks

    Article • Chemical Science, January 2017, Royal Society of Chemistry

    Dr Andrew Tarzia

  42. Site-specific metal and ligand substitutions in a microporous Mn2+-based metal–organic framework

    Article • Dalton Transactions, January 2016, Royal Society of Chemistry

    Dr Andrew Tarzia