Dr Jack Evans
ARC Grant-Funded Research Fellow
School of Physics, Chemistry and Earth Sciences
College of Science
Eligible to supervise Masters and PhD - email supervisor to discuss availability.
Jack D. Evans earned his BSc in Chemistry and Physics from the University of Adelaide in 2010, followed by BSc (Honours) in Chemistry in 2011. He completed his PhD in Chemical Sciences at the University of Adelaide in 2016. After graduation, Dr. Evans pursued postdoctoral research in computational chemistry at Chimie ParisTech, France (2015-2017), followed by a prestigious Humboldt Research Fellowship at TU Dresden, Germany (2017-2021). In 2021, he returned to the University of Adelaide as a Ramsay Fellow and subsequently secured an ARC Discovery Early Career Researcher Award. He currently holds a position as Researcher and Senior Lecturer in the Department of Chemistry.
Dr. Evans' research focuses on developing computational frameworks to understand and predict the behavior of responsive materials, particularly porous frameworks for gas separation and catalysis. His notable contributions include: 1) pioneering machine learning approaches for simulating amorphous porous materials at unprecedented scales; 2) establishing universal standards for adsorption data that have been adopted by instrument manufacturers worldwide; 3) developing thermodynamic models that explain the counterintuitive behavior of flexible metal-organic frameworks; 4) creating computational tools that bridge atomic-scale mechanisms with macroscopic material properties. His recent contribution on the origins of elasticity in molecular materials, published in Nature Materials, challenges conventional understanding of mechanical properties in crystalline systems.
Dr. Evans has published over 100 peer-reviewed journal articles in internationally renowned journals including Nature Materials, Nature Chemistry, Proceedings of the National Academy of Sciences, Nature Communications, Journal of the American Chemical Society, and Angewandte Chemie. He has secured over $1.7 million in research funding, including projects with PETRONAS and Rio Tinto. His research excellence has been recognized through multiple awards including the Walter Kalkhof-Rose Memorial Prize (2020) and selection as one of "35 under 35" principal investigators in materials science by Matter journal (2024). Additionally, he currently serves on the editorial board of Communications Materials.
| Date | Position | Institution name |
|---|---|---|
| 2022 - ongoing | DECRA Fellow | University of Adelaide |
| 2021 - 2022 | Ramsay Fellow | University of Adelaide |
| 2017 - 2021 | Postdoctoral researcher | Dresden University of Technology |
| 2015 - 2017 | Postdoctoral researcher | Chimie ParisTech |
| Date | Type | Title | Institution Name | Country | Amount |
|---|---|---|---|---|---|
| 2024 | Recognition | Matter's 35 Under 35 | Matter | United States | - |
| Date | Institution name | Country | Title |
|---|---|---|---|
| University of Adelaide | Australia | Ph.D. |
| Year | Citation |
|---|---|
| 2026 | Haldar, S., Garcia Alvarez, K. M., Bachetzky, C., Yang, F., Khan, A. H., Hijikata, Y., . . . Schneemann, A. (2026). Xenon/Krypton Separation on a Bromine Functionalized Benzimidazole-Linked Porous Covalent Organic Polymer. ACS applied materials & interfaces, 18(17), 25557-25568. |
| 2026 | Stracke, K., Edwards, C. W., & Evans, J. D. (2026). Evaluating mechanical property prediction across material classes using molecular dynamics simulations with universal machine-learned interatomic potentials. Communications Chemistry, 1-28. |
| 2026 | Yang, F., & Evans, J. D. (2026). QUASAR: A Universal Autonomous System for Atomistic Simulation and a Benchmark of Its Capabilities. Journal of Chemical Information and Modeling, 66(10), 5911-5918. |
| 2026 | Day, M. L., Hamza, M. A., Evans, J. D., & Shearer, C. J. (2026). Excess Al Reduces Photocatalytic Activity of Al-Doped SrTiO₃ Nanostructures. ACS Applied Nano Materials, 9(4), 1748-1759. Scopus2 WoS1 |
| 2026 | Cheung, O., Tokuda, S., Jędrzejowski, D., Ploetz, E., Baumgartner, B., Pander, M., . . . Matoga, D. (2026). Material Preparation Information File (MPIF): A Community-Driven Standard for Reporting MOF Syntheses.. Advanced materials (Deerfield Beach, Fla.), 38(16), e21420. Scopus2 WoS5 Europe PMC1 |
| 2026 | Coomber, D., Rusli, O., Sharma, H., Lee, H. E., Evans, J. D., Rijs, N. J., . . . Pfeffer, F. (2026). A new class of customisable stable boronic ester assemblies. Chemical Science, 17(14), 6939-6948. |
| 2026 | Stracke, K., & Evans, J. D. (2026). Bias-Deletion Metadynamics Revealing Volume-Rotation Coupling Mechanisms in Metal-Organic Frameworks. Journal of Chemical Theory and Computation, 22(7), 3685-3696. |
| 2026 | Goodwin, R. J., Lawson, N. R., Gardiner, M. G., Evans, J. D., Kruger, P. E., & Preston, D. (2026). A Low-Symmetry Fe<sup>II</sup> Tetrahedron From a Flexible Tritopic Ligand.. Chemistry (Weinheim an der Bergstrasse, Germany), e71043. |
| 2026 | Yang, F., Chen, W., & Evans, J. D. (2026). Large language models in materials science and the need for open-source approaches. Digital Discovery, 5(5), 1-10. Scopus3 WoS2 |
| 2026 | Edwards, C. W., & Evans, J. D. (2026). Exploring Foundational Machine Learned Potentials for Treating the High Temperature Dynamics of Metal‐Organic Frameworks. Advanced Theory and Simulations, 9(2), e00514-1-e00514-9. Scopus1 WoS3 |
| 2025 | Siddique, R. G., Anthony, T. E., Evans, J. D., Sumby, C. J., & Doonan, C. J. (2025). Rhodium Carbonyl Complexes within the Tunable Microenvironments of UiO-66 Analogues. Inorganic Chemistry, 64(45), 22533-22544. |
| 2025 | Siderius, D. W., Evans, J. D., Iacomi, P., Vanduyfhuys, L., Van Speybroeck, V., Bon, V., & Kaskel, S. (2025). Best-Practice Reporting for Porous Materials Adsorption Data. Angewandte Chemie International Edition, 64(44), e202513606-1-e202513606-16. Scopus5 WoS6 |
| 2025 | Wang, Y., Kalyvas, J. T., Evans, J. D., Toronjo-Urquiza, L., Horsley, J. R., & Abell, A. D. (2025). Expanding the therapeutic window of gramicidin S towards a safe and effective systemic treatment of methicillin-resistant S. aureus infections. European Journal of Medicinal Chemistry, 283, 117128-1-117128-9. Scopus11 WoS8 Europe PMC5 |
| 2025 | Wu, S., Huang, D. M., Li, S., O'Brien, M., Wu, C., Ding, S., . . . Li, T. (2025). Pronounced Catalytic Enhancement through Phase Partitioned Metal-Organic Framework Gas Shuttles. Journal of the American Chemical Society, 147(43), 39693-39700. Scopus5 WoS4 Europe PMC1 |
| 2025 | Tang, L., Edwards, C. W., Stracke, K., Zhao, Y., Qi, Y., Doonan, C. J., . . . Li, T. (2025). Pressure-Driven Loading of Large Guests in Metal-Organic Frameworks. ACS Nano, 19(43), 37994-38003. Scopus3 WoS3 Europe PMC1 |
| 2025 | Sutrisno, L., Richards, G. J., Evans, J. D., Matsumoto, M., Li, X., Uto, K., . . . Ariga, K. (2025). Visualizing the chronicle of multiple cell fates using a near-IR dual-RNA/DNA-targeting probe. Science Advances, 11(43), eadz6633-1-eadz6633-13. Scopus13 WoS14 Europe PMC6 |
| 2025 | Booth, S. A., Bon, V., Edwards, C. W., Savage, G. P., Evans, J. D., Kaskel, S., & Macreadie, L. K. (2025). Restoring Porosity and Uncovering Flexibility in Pillared 3D-Linker Metal-Organic Frameworks. Angewandte Chemie International Edition, 64(46), 8 pages. Scopus5 WoS5 Europe PMC4 |
| 2025 | Krause, S., Evans, J. D., Bon, V., Senkovska, I., Coudert, F. -X., Maurin, G., . . . Kaskel, S. (2025). Negative gas adsorption transitions and pressure amplification phenomena in porous frameworks. Chemical Society Reviews, 54(3), 1251-1-1251-18. Scopus10 WoS11 Europe PMC1 |
| 2025 | Stracke, K., & Evans, J. D. (2025). Investigating the Temperature-Induced Expansion of MIL-53 under Different Gas Environments Using Molecular Simulations. The Journal of Physical Chemistry C, 129(6), 3226-3233. Scopus2 WoS2 |
| 2025 | Thompson, A. J., Chong, B. S. K., Kenny, E. P., Evans, J. D., Powell, J. A., Spackman, M. A., . . . Clegg, J. K. (2025). Origins of elasticity in molecular materials. Nature Materials, 24(3), 356-360. Scopus27 WoS28 Europe PMC6 |
| 2025 | Gome, J. A., Avery, Z. T., Lawson, N. R., Stansfield, O. G., Evans, J. D., Gardiner, M. G., . . . Preston, D. (2025). Low Symmetry Face-Capped Fe(II) Tetrahedra Through Anisotropic Ligand Extension. Angewandte Chemie International Edition, 64(21), e202503473-1-e202503473-10. Scopus8 WoS8 Europe PMC6 |
| 2025 | Matthews, R. K., Nguyen, H. T. L., Yang, F., Pukala, T. L., Evans, J. D., & Shearer, C. J. (2025). La Doping ATaO₃ (A = Li, Na, K) to Improve Performance for Photocatalytic Pollutant Degradation. Chemistry of Materials, 37(10), 3696-3708. Scopus5 WoS6 |
| 2025 | Desai, A. V., Canossa, S., Chernova, E. A., Vornholt, S. M., Stracke, K., Evans, J. D., . . . Ettlinger, R. (2025). Retrospective Review on Reticular Materials: Facts and Figures Over the Last 30 Years. Advanced Materials, 37(52), 2414736-1-2414736-20. Scopus8 WoS10 Europe PMC4 |
| 2025 | Hernández-Santiago, E., Navarro-Huerta, A., Gómez-Vidales, V., Rodríguez-Hernández, J., Rodríguez, M., Evans, J. D., & Rodríguez-Molina, B. (2025). A Host-Guest Approach to Generate a Zr-Based MOF with Photothermal Conversion Properties. ACS Applied Optical Materials, 3(6), 1237-1244. Scopus3 WoS5 |
| 2025 | Linder-Patton, O. M., Wang, L., Evans, J. D., Yasin, N. H., Berahim-Jusoh, N. H., Li, S., . . . Doonan, C. J. (2025). Understanding the Role of the Zr-MOF Support Structure on Templated Ternary CO₂ Hydrogenation Catalyst Structure and Activity. ACS Applied Materials & Interfaces, 17(31), 44573-44584. Scopus6 WoS6 |
| 2025 | Evans, J. D. (2025). Towards net zero by data-driven discovery of sustainable cement alternatives.. Communications chemistry, 8(1), 213. Scopus2 WoS2 |
| 2024 | Bingel, L. W., Evans, J. D., Kim, T., Scott, J. K., & Walton, K. S. (2024). Influence of Postsynthetic Ligand Exchange in ZIF-7 on Gate-Opening Pressure and CO<inf>2</inf>/CH<inf>4</inf> Mixture Separation. Chemistry of Materials, 36(24), 11756-11769. Scopus11 WoS11 |
| 2024 | Gimeno-Fonquernie, P., Albalad, J., Price, J. R., Bloch, W. M., Evans, J. D., Doonan, C. J., & Sumby, C. J. (2024). Topological analysis and control of post-synthetic metalation sites in Zr-based metal–organic frameworks. Journal of Materials Chemistry C, 12(7), 2267-2648. Scopus7 WoS7 |
| 2024 | Castel, N., André, D., Edwards, C., Evans, J. D., & Coudert, F. -X. (2024). Machine learning interatomic potentials for amorphous zeolitic imidazolate frameworks. Digital Discovery, 3(2), 355-368. Scopus21 WoS22 |
| 2024 | Stracke, K., & Evans, J. D. (2024). The rise of data repositories in materials chemistry. Communications Chemistry, 7(1), 63-1-63-4. Scopus7 WoS9 Europe PMC2 |
| 2024 | Qi, A., Li, C., Evans, J. D., Zhao, Y., & Li, T. (2024). Self-sorting of Interfacial Compatibility in MOF-based Mixed Matrix Membranes.. Angew Chem Int Ed Engl, 63(24), e202400474. Scopus30 WoS31 Europe PMC7 |
| 2024 | Stracke, K., & Evans, J. D. (2024). The use of collective variables and enhanced sampling in the simulations of existing and emerging microporous materials. Nanoscale, 16(19), 9186-9196. Scopus8 WoS8 Europe PMC2 |
| 2024 | Evans, J. D., & Coudert, F. X. (2024). Challenges and Opportunities of Molecular Simulations for Negative Gas Adsorption. Accounts of materials research, 5(5), 640-647. Scopus5 WoS6 |
| 2024 | Hamza, M. A., Evans, J. D., Andersson, G. G., Metha, G. F., & Shearer, C. J. (2024). Ultrathin Ru-CdIn₂S₄ nanosheets for simultaneous photocatalytic green hydrogen production and selective oxidation of furfuryl alcohol to furfural. Chemical Engineering Journal, 493, 152603-1-152603-12. Scopus36 WoS32 |
| 2024 | Acosta-Vera, A., Galicia-Badillo, D., Navarro-Huerta, A., Stracke, K., Gómez-Vidales, V., Rodríguez-Hernández, J., . . . Rodríguez-Molina, B. (2024). Modulation of the Photophysics and Internal Dynamics in a Zr Metal Organic Framework by the Inclusion of Fluorinated Guests. ACS Materials Letters, 6(9), 4395-4401. Scopus3 WoS4 |
| 2024 | Lázaro, I. A., Anastasaki, A., Ardoña, H. A. M., Arguilla, M. Q., Bati, A. S. R., Batmunkh, M., . . . Cranford, S. W. (2024). 35 challenges in materials science being tackled by PIs under 35(ish) in 2024. Matter, 7(11), 3699-3706. Scopus1 WoS1 |
| 2023 | Uddin, N., Sun, Z., Langley, J., Lu, H., Cao, P., Wibowo, A., . . . Yin, Z. (2023). Ultrabroadband plasmon driving selective photoreforming of methanol under ambient conditions.. Proc Natl Acad Sci U S A, 120(3), e2212075120. Scopus14 WoS10 Europe PMC5 |
| 2023 | Maliuta, M., Senkovska, I., Thümmler, R., Ehrling, S., Becker, S., Romaka, V., . . . Kaskel, S. (2023). Particle size-dependent flexibility in DUT-8(Cu) pillared layer metal-organic framework.. Dalton Trans, 52(9), 2816-2824. Scopus13 WoS13 Europe PMC4 |
| 2023 | Velásquez-Hernández, M. D. J., Linares-Moreau, M., Brandner, L. A., Marmiroli, B., Barella, M., Acuna, G. P., . . . Falcaro, P. (2023). Fabrication of 3D Oriented MOF Micropatterns with Anisotropic Fluorescent Properties. Advanced Materials, 35(25), 1-10. Scopus46 WoS56 Europe PMC21 |
| 2023 | Walenszus, F., Bon, V., Evans, J. D., Krause, S., Getzschmann, J., Kaskel, S., & Dvoyashkin, M. (2023). On the role of history-dependent adsorbate distribution and metastable states in switchable mesoporous metal-organic frameworks.. Nature Communications, 14(1), 10 pages. Scopus12 WoS15 Europe PMC6 |
| 2023 | Algar, J. L., Phillips, J. E., Evans, J. D., & Preston, D. (2023). Stoichiometric Control of Guest Recognition of Self-Assembled Palladium(II)-Based Supramolecular Architectures. Chemistry: An Asian Journal, 18(20), e202300673-1-e202300673-7. Scopus6 WoS6 Europe PMC5 |
| 2023 | Flint, K. L., Evans, J. D., Carraro, F., Renner, S., Linder-Patton, O. M., Amenitsch, H., . . . Doonan, C. J. (2023). Protein-induced modifications in crystal morphology of a hydrogen-bonded organic framework. Journal of Materials Chemistry A, 11(42), 23026-23033. Scopus6 WoS6 |
| 2023 | Smernik, J. F., Gimeno-Fonquernie, P., Albalad, J., Jones, T. S., Young, R. J., Champness, N. R., . . . Sumby, C. J. (2023). Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers. CrystEngComm, 25(47), 6539-6548. Scopus4 WoS4 |
| 2023 | Preston, D., & Evans, J. D. (2023). A Lantern-Shaped Pd(II) Cage Constructed from Four Different Low Symmetry Ligands with Positional and Orientational Control: an Ancillary Pairings Approach. Angewandte Chemie International Edition, 62(49), e202314378-1-e202314378-9. Scopus42 WoS41 Europe PMC24 |
| 2023 | Ernst, M., Evans, J. D., & Gryn'ova, G. (2023). Host–guest interactions in framework materials: Insight from modeling. Chemical Physics Reviews, 4(4), 041303-1-041303-28. WoS25 |
| 2023 | Preston, D., & Evans, J. D. (2023). A Lantern-Shaped Pd(II) Cage Constructed from Four Different Low-Symmetry Ligands with Positional and Orientational Control: An Ancillary Pairings Approach. Angewandte Chemie, 135(49), e202314378-1-e202314378-9. |
| 2023 | Gimeno-Fonquernie, P., Albalad, J., Evans, J. D., Price, J., Doonan, C. J., & Sumby, C. J. (2023). Atomic-Scale Elucidation of Unusually Distorted Dimeric Complexes Confined in a Zr-Based Metal—Organic Framework. Inorganic Chemistry, 62(47), 19208-19217. Scopus4 WoS4 Europe PMC2 |
| 2023 | Chen, C., Maynard-Casely, H. E., Duyker, S. G., Babarao, R., Kepert, C. J., Evans, J. D., & Macreadie, L. K. (2023). Lowering the Energetic Landscape for Negative Thermal Expansion in 3D-Linker Metal–Organic Frameworks. Chemistry of Materials, 35(23), 9945-9951. Scopus7 WoS9 |
| 2022 | Baxter, S. J., Burtch, N. C., Evans, J. D., Ready, A. D., Wilkinson, A. P., & Schneemann, A. (2022). Recovery of MOF-5 from Extreme High-Pressure Conditions Facilitated by a Modern Pressure Transmitting Medium. Chemistry of Materials, 34(2), 768-776. Scopus23 WoS22 |
| 2022 | Hobday, C. L., Krause, S., Rogge, S. M. J., Evans, J. D., & Bunzen, H. (2022). Editorial: The Influence of Crystal Size and Morphology on Framework Materials. Frontiers in Chemistry, 9, 829906. Scopus1 WoS1 |
| 2022 | Bondorf, L., Fiorio, J. L., Bon, V., Zhang, L., Maliuta, M., Ehrling, S., . . . Hirscher, M. (2022). Isotope-selective pore opening in a flexible metal-organic framework. Science advances, 8(15), 1-9. Scopus65 WoS65 Europe PMC32 |
| 2022 | Krause, S., Evans, J. D., Bon, V., Crespi, S., Danowski, W., Browne, W. R., . . . Feringa, B. L. (2022). Cooperative light-induced breathing of soft porous crystals via azobenzene buckling.. Nature communications, 13(1), 10 pages. Scopus64 WoS61 Europe PMC38 |
| 2022 | Evans, J. (2022). An approach for the pore-centred description of adsorption in hierarchical porous materials. |
| 2022 | Osterrieth, J. W. M., Rampersad, J., Madden, D., Rampal, N., Skoric, L., Connolly, B., . . . Fairen-Jimenez, D. (2022). How Reproducible are Surface Areas Calculated from the BET Equation?. Advanced Materials, 34(27), 2201502-1-2201502-12. Scopus316 WoS334 Europe PMC130 |
| 2022 | Ehrling, S., Senkovska, I., Efimova, A., Bon, V., Abylgazina, L., Petkov, P., . . . Kaskel, S. (2022). Temperature Driven Transformation of the Flexible Metal-Organic Framework DUT-8(Ni).. Chemistry (Weinheim an der Bergstrasse, Germany), 28(55), 1-10. Scopus16 WoS18 Europe PMC7 |
| 2022 | Berger, J., Schneemann, A., Hante, I., Jing, Y., Evans, J. D., Hijikata, Y., . . . Fischer, R. A. (2022). Designing Adsorptive Gating via Linker Side-Chain Functionalization in a Honeycomb-MOF. The Journal of Physical Chemistry C, 126(30), 12755-12764. Scopus6 WoS6 |
| 2022 | Algar, J. L., Findlay, J. A., Evans, J. D., & Preston, D. (2022). A Switchable Palladium(II) Trefoil Entangled Tetrahedron with Temperature Dependence and Concentration Independence. Angewandte Chemie (International ed. in English), 61(39), e202210476-1-e202210476-5. Scopus10 WoS11 Europe PMC9 |
| 2022 | Evans, J. D. (2022). An approach for the pore-centred description of adsorption in hierarchical porous materials. CRYSTENGCOMM, 2022(24), 7326-7334. Scopus5 WoS5 |
| 2021 | Addicoat, M., Bennett, T. D., Brammer, L., Craig, G., Das, C., Dichtel, W., . . . Zhao, P. (2021). Materials breaking the rules: General discussion. Faraday Discussions, 225(0), 255-270. |
| 2021 | Bennett, T. D., Brammer, L., Coudert, F. X., Evans, J. D., Fischer, M., Goodwin, A. L., . . . Van Speybroeck, V. (2021). Novel computational tools: General discussion. Faraday Discussions, 225(0), 341-357. Scopus2 |
| 2021 | Albalad, J., Peralta, R. A., Huxley, M. T., Tsoukatos, S., Shi, Z., Zhang, Y. -B., . . . Doonan, C. J. (2021). Coordination modulated on-off switching of flexibility in a metal–organic framework. Chemical Science, 44(44), 14893-14900. Scopus15 WoS14 Europe PMC9 |
| 2021 | Hobday, C. L., Krause, S., Rogge, S. M. J., Evans, J. D., & Bunzen, H. (2021). Perspectives on the Influence of Crystal Size and Morphology on the Properties of Porous Framework Materials. Frontiers in Chemistry, 9, 772059. Scopus33 WoS33 Europe PMC11 |
| 2021 | Schwotzer, F., Senkovska, I., Bon, V., Lochmann, S., Evans, J. D., Pohl, D., . . . Kaskel, S. (2021). Solvent-assisted delamination of layered copper dithienothiophene-dicarboxylate (DUT-134). Inorganic Chemistry Frontiers, 8(13), 3308-3316. Scopus6 WoS6 |
| 2021 | Felsner, B., Bon, V., Evans, J. D., Schwotzer, F., Grünker, R., Senkovska, I., & Kaskel, S. (2021). Unraveling the Guest-Induced Switchability in the Metal-Organic Framework DUT-13(Zn)**. Chemistry - A European Journal, 27(37), 9708-9715. Scopus9 WoS8 Europe PMC7 |
| 2021 | Dvoyashkin, M., Leistenschneider, D., Evans, J. D., Sander, M., & Borchardt, L. (2021). Revealing the Impact of Hierarchical Pore Organization in Supercapacitor Electrodes by Coupling Ionic Dynamics at Micro- and Macroscales. Advanced Energy Materials, 11(24), 2100700-1-2100700-10. Scopus53 WoS56 |
| 2021 | Abylgazina, L., Senkovska, I., Ehrling, S., Bon, V., St. Petkov, P., Evans, J. D., . . . Kaskel, S. (2021). Tailoring adsorption induced switchability of a pillared layer MOF by crystal size engineering. CrystEngComm, 23(3), 538-549. Scopus39 WoS39 |
| 2021 | Peralta, R. A., Huxley, M. T., Young, R. J., Linder-Patton, O. M., Evans, J. D., Doonan, C. J., & Sumby, C. J. (2021). MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday Discussions, 225(0), 84-99. Scopus15 WoS19 Europe PMC9 |
| 2021 | Schneemann, A., Jing, Y., Evans, J. D., Toyao, T., Hijikata, Y., Kamiya, Y., . . . Noro, S. I. (2021). Alkyl decorated metal-organic frameworks for selective trapping of ethane from ethylene above ambient pressures. Dalton Transactions, 50(30), 10423-10435. Scopus20 WoS21 Europe PMC6 |
| 2021 | Ehrling, S., Reynolds, E. M., Bon, V., Senkovska, I., Gorelik, T. E., Evans, J. D., . . . Kaskel, S. (2021). Adaptive response of a metal–organic framework through reversible disorder–disorder transitions. Nature Chemistry, 13(6), 568-574. Scopus79 WoS77 Europe PMC49 |
| 2021 | Goeminne, R., Krause, S., Kaskel, S., Verstraelen, T., & Evans, J. D. (2021). Charting the Complete Thermodynamic Landscape of Gas Adsorption for a Responsive Metal-Organic Framework. Journal of the American Chemical Society, 143(11), 4143-4147. Scopus42 WoS42 Europe PMC23 |
| 2021 | Evans, J. D., Bon, V., Senkovska, I., & Kaskel, S. (2021). A Universal Standard Archive File for Adsorption Data. Langmuir, 37(14), 4222-4226. Scopus75 WoS75 Europe PMC34 |
| 2021 | Krause, S., Evans, J. D., Bon, V., Senkovska, I., Coudert, F. X., Többens, D. M., . . . Kaskel, S. (2021). The role of temperature and adsorbate on negative gas adsorption transitions of the mesoporous metal-organic framework DUT-49. Faraday Discussions, 225(0), 168-183. Scopus30 WoS32 Europe PMC19 |
| 2021 | Evans, J. D., Krause, S., & Feringa, B. L. (2021). Cooperative and synchronized rotation in motorized porous frameworks: Impact on local and global transport properties of confined fluids. Faraday Discussions, 225(0), 286-300. Scopus18 WoS19 Europe PMC14 |
| 2020 | Walenszus, F., Bon, V., Evans, J. D., Kaskel, S., & Dvoyashkin, M. (2020). Molecular Diffusion in a Flexible Mesoporous Metal-Organic Framework over the Course of Structural Contraction. Journal of Physical Chemistry Letters, 11(22), 9696-9701. Scopus11 WoS12 Europe PMC6 |
| 2020 | Evans, J. D., Bon, V., Senkovska, I., Lee, H. C., & Kaskel, S. (2020). Four-dimensional metal-organic frameworks. Nature Communications, 11(1), 1-11. Scopus131 WoS125 Europe PMC70 |
| 2020 | Krause, S., Evans, J. D., Bon, V., Senkovska, I., Ehrling, S., Iacomi, P., . . . Kaskel, S. (2020). Engineering micromechanics of soft porous crystals for negative gas adsorption. Chemical Science, 11(35), 9468-9479. Scopus35 WoS35 Europe PMC18 |
| 2020 | Peralta, R. A., Huxley, M. T., Evans, J. D., Fallon, T., Cao, H., He, M., . . . Doonan, C. J. (2020). Highly active gas phase organometallic catalysis supported within metal-organic framework pores. Journal of the American Chemical Society, 142(31), 13533-13543. Scopus52 WoS52 Europe PMC24 |
| 2020 | Ehrling, S., Mendt, M., Senkovska, I., Evans, J. D., Bon, V., Petkov, P., . . . Kaskel, S. (2020). Tailoring the Adsorption-Induced Flexibility of a Pillared Layer Metal-Organic Framework DUT-8(Ni) by Cobalt Substitution. Chemistry of Materials, 32(13), 5670-5681. Scopus45 WoS45 |
| 2019 | Ehrling, S., Senkovska, I., Bon, V., Evans, J. D., Petkov, P., Krupskaya, Y., . . . Kaskel, S. (2019). Crystal size: Versus paddle wheel deformability: Selective gated adsorption transitions of the switchable metal-organic frameworks DUT-8(Co) and DUT-8(Ni). Journal of Materials Chemistry A, 7(37), 21459-21475. Scopus63 WoS60 |
| 2019 | Krause, S., Evans, J. D., Bon, V., Senkovska, I., Iacomi, P., Kolbe, F., . . . Kaskel, S. (2019). Towards general network architecture design criteria for negative gas adsorption transitions in ultraporous frameworks. Nature Communications, 10(1), 1-12. Scopus90 WoS93 Europe PMC55 |
| 2019 | Evans, J. D., Krause, S., Kaskel, S., Sweatman, M. B., & Sarkisov, L. (2019). Exploring the thermodynamic criteria for responsive adsorption processes. Chemical Science, 10(19), 5011-5017. Scopus32 WoS32 Europe PMC21 |
| 2019 | Evans, J. D., Dürholt, J. P., Kaskel, S., & Schmid, R. (2019). Assessing negative thermal expansion in mesoporous metal-organic frameworks by molecular simulation. Journal of Materials Chemistry A, 7(41), 24019-24026. Scopus36 WoS34 |
| 2019 | Vogt, C. G., Grätz, S., Lukin, S., Halasz, I., Etter, M., Evans, J. D., & Borchardt, L. (2019). Direct Mechanocatalysis: Palladium as Milling Media and Catalyst in the Mechanochemical Suzuki Polymerization. Angewandte Chemie - International Edition, 58(52), 18942-18947. Scopus111 WoS104 Europe PMC58 |
| 2019 | Bon, V., Senkovska, I., Evans, J. D., Wöllner, M., Hölzel, M., & Kaskel, S. (2019). Insights into the water adsorption mechanism in the chemically stable zirconium-based MOF DUT-67-a prospective material for adsorption-driven heat transformations. Journal of Materials Chemistry A, 7(20), 12681-12690. Scopus75 WoS73 |
| 2019 | Coudert, F. X., & Evans, J. D. (2019). Nanoscale metamaterials: Meta-MOFs and framework materials with anomalous behavior. Coordination Chemistry Reviews, 388, 48-62. Scopus58 WoS59 |
| 2018 | Tshabang, N., Makgatle, G. P., Bourne, S. A., Kann, N., Evans, J. D., Coudert, F. X., & Öhrström, L. (2018). Conformational chiral polymorphism in cis-bis-triphenylphosphine complexes of transition metals. CrystEngComm, 20(35), 5137-5142. Scopus1 WoS1 |
| 2018 | Krause, S., Evans, J. D., Bon, V., Senkovska, I., Ehrling, S., Stoeck, U., . . . Kaskel, S. (2018). Adsorption Contraction Mechanics: Understanding Breathing Energetics in Isoreticular Metal-Organic Frameworks. Journal of Physical Chemistry C, 122(33), 19171-19179. Scopus55 WoS52 Europe PMC23 |
| 2018 | Hönicke, I. M., Senkovska, I., Bon, V., Baburin, I. A., Bönisch, N., Raschke, S., . . . Kaskel, S. (2018). Balancing Mechanical Stability and Ultrahigh Porosity in Crystalline Framework Materials. Angewandte Chemie - International Edition, 57(42), 13780-13783. Scopus355 WoS333 Europe PMC128 |
| 2018 | Hönicke, I. M., Senkovska, I., Bon, V., Baburin, I. A., Bönisch, N., Raschke, S., . . . Kaskel, S. (2018). Mechanische Stabilität versus ultrahohe Porosität in kristallinen Netzwerkmaterialien: ein Balanceakt!. Angewandte Chemie, 130(42), 13976-13979. |
| 2017 | Evans, J. D., & Coudert, F. X. (2017). Macroscopic Simulation of Deformation in Soft Microporous Composites. Journal of Physical Chemistry Letters, 8(7), 1578-1584. Scopus15 WoS14 Europe PMC6 |
| 2017 | Evans, J. D., & Coudert, F. X. (2017). Predicting the Mechanical Properties of Zeolite Frameworks by Machine Learning. Chemistry of Materials, 29(18), 7833-7839. Scopus185 WoS175 |
| 2017 | Evans, J. D., Fraux, G., Gaillac, R., Kohen, D., Trousselet, F., Vanson, J. M., & Coudert, F. X. (2017). Computational chemistry methods for nanoporous materials. Chemistry of Materials, 29(1), 199-212. Scopus77 WoS77 |
| 2017 | Evans, J., Jelfs, K., Day, G., & Doonan, C. (2017). Application of computational methods to the design and characterisation of porous molecular materials. Chemical Society Reviews, 46(11), 3286-3301. Scopus72 WoS71 Europe PMC31 |
| 2016 | Teo, J., Coghlan, C., Evans, J., Tsivion, E., Head-Gordon, M., Sumby, C., & Doonan, C. (2016). Hetero-bimetallic metal-organic polyhedra. Chemical Communications, 52(2), 276-279. Scopus63 WoS63 Europe PMC35 |
| 2016 | Falcaro, P., Ricco, R., Yazdi, A., Imaz, I., Furukawa, S., Maspoch, D., . . . Doonan, C. (2016). Application of metal and metal oxide nanoparticles at MOFs. Coordination Chemistry Reviews, 307, 237-254. Scopus607 WoS556 |
| 2016 | Evans, J., Huang, D., Haranczyk, M., Thornton, A., Sumby, C., & Doonan, C. (2016). Computational identification of organic porous molecular crystals. CrystEngComm, 18(22), 4133-4141. Scopus44 WoS37 |
| 2016 | Burgun, A., Valente, P., Evans, J., Huang, D., Sumby, C., & Doonan, C. (2016). Endohedrally functionalised porous organic cages. Chemical Communications, 52(57), 8850-8853. Scopus30 WoS28 Europe PMC17 |
| 2016 | Evans, J. D., Bocquet, L., & Coudert, F. X. (2016). Origins of Negative Gas Adsorption. Chem, 1(6), 873-886. Scopus102 WoS99 |
| 2016 | Evans, J. D., & Coudert, F. X. (2016). Microscopic Mechanism of Chiral Induction in a Metal-Organic Framework. Journal of the American Chemical Society, 138(19), 6131-6134. Scopus43 WoS40 Europe PMC18 |
| 2015 | Evans, J., Huang, D., Hill, M., Sumby, C., Sholl, D., Thornton, A., & Doonan, C. (2015). Molecular design of amorphous porous organic cages for enhanced gas storage. Journal of Physical Chemistry C, 119(14), 7746-7754. Scopus44 WoS40 |
| 2015 | Evans, J., Sumby, C., & Doonan, C. (2015). Synthesis and applications of porous organic cages. Chemistry Letters, 44(5), 582-588. Scopus94 WoS88 |
| 2014 | Evans, J. D., Sumby, C. J., & Doonan, C. J. (2014). Post-synthetic metalation of metal–organic frameworks. Chemical Society reviews, 43(16), 5933-5951. Scopus579 WoS543 Europe PMC240 |
| 2014 | Evans, J. D., Huang, D. M., Hill, M. R., Sumby, C. J., Thornton, A. W., & Doonan, C. J. (2014). Feasibility of mixed matrix membrane gas separations employing porous organic cages. The Journal of Physical Chemistry C, 118(3), 1523-1529. Scopus79 WoS74 |
| 2013 | Keene, T., Rankine, D., Evans, J., Southon, P., Kepert, C., Aitken, J., . . . Doonan, C. (2013). Solvent-modified dynamic porosity in chiral 3D kagome frameworks. Dalton Transactions (Print Edition), 42(22), 7871-7879. Scopus37 WoS34 Europe PMC14 |
| 2013 | Avellaneda, A., Valente, P., Burgun, A., Evans, J., Markwell-Heys, A., Rankine, D., . . . Doonan, C. (2013). Kinetically controlled porosity in a robust organic cage material. Angewandte Chemie - International Edition, 52(13), 3746-3749. Scopus142 WoS132 Europe PMC82 |
| 2012 | Evans, J., Hollis, C., Hack, S., Gentleman, A., Hoffmann, P., Buntine, M., & Sumby, C. (2012). Anion-π interactions of hexaaryl[3]radialenes. Journal of Physical Chemistry A, 116(30), 8001-8007. Scopus15 WoS14 Europe PMC10 |
| Year | Citation |
|---|---|
| 2022 | Evans, J. (2022). Atomistic Simulations of Mechanical Properties. In K. E. Jelfs (Ed.), Computer Simulation of Porous Materials (pp. 79-121). United Kingdom: Royal Society of Chemistry. |
| Year | Citation |
|---|---|
| 2023 | Gimeno-Fonquernie, P., Albalad, J., Evans, J. D., Price, J., Doonan, C. J., & Sumby, C. J. (2023). Using a new Zr-based Metal-organic Framework to contort dimeric complexes. In ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES Vol. 79 (pp. C1320). INT UNION CRYSTALLOGRAPHY. |
| Year | Citation |
|---|---|
| - | Evans, J. D. (n.d.). Demonstration of Isosteric Heat of Adsorption Calculation using AIFs and pyGAPs. DOI |
| - | Evans, J. D., & Edwards, C. (n.d.). Supporting Dataset for Simulations of High Temperature Decomposition of Metal-Organic Frameworks to form Amorphous Catalysts. DOI |
| - | Edwards, C., & Evans, J. D. (n.d.). Supporting Dataset for Benchmarking Universal Machine-Learned Interatomic Potentials for High-Temperature Metal-Organic Framework Chemistry. DOI |
| Year | Citation |
|---|---|
| 2026 | Stracke, K., & Evans, J. (2026). Bias Deletion Metadynamics Revealing Volume-Rotation Coupling Mechanisms in Metal-Organic Frameworks. DOI |
| 2025 | Coomber, D., Rusli, O., Evans, J., Lee, P., Sharma, H., Rijs, N., . . . Pfeffer, F. (2025). A New Class of Customisable Stable Boronic Ester Assembly. DOI |
| 2025 | Stracke, K., & Evans, J. (2025). Bias Deletion Metadynamics Revealing Volume-Rotation Coupling Mechanisms in Metal-Organic Frameworks. DOI |
| 2025 | Coomber, D., Rusli, O., Evans, J., Lee, P., Sharma, H., Rijs, N., . . . Pfeffer, F. (2025). A New Class of Customisable Stable Boronic Ester Assembly. DOI |
| 2025 | Edwards, C. W., & Evans, J. D. (2025). Exploring foundational machine learned potentials for treating the high temperature dynamics of metal-organic frameworks. DOI |
| Date | Role | Research Topic | Program | Degree Type | Student Load | Student Name |
|---|---|---|---|---|---|---|
| 2026 | Principal Supervisor | First-principles calculations and machine learning to accelerate ammonia production and distribution using metal-organic frameworks | Doctor of Philosophy | Doctorate | Full Time | Mr Nam Hoang Truong |
| 2025 | Co-Supervisor | Chemical Synthesis of Shape-Shifting Cyclic Peptides | Master of Philosophy | Master | Full Time | Mr Qiyuan Tao |
| 2025 | Principal Supervisor | Exploring scientific literature for anomalous adsorption phenomena using natural language processing | Master of Philosophy | Master | Full Time | Mr Fengxu Yang |
| 2025 | Co-Supervisor | Chemical Synthesis of Shape-Shifting Cyclic Peptides | Master of Philosophy | Master | Full Time | Mr Qiyuan Tao |
| 2025 | Principal Supervisor | Exploring scientific literature for anomalous adsorption phenomena using natural language processing | Master of Philosophy | Master | Full Time | Mr Fengxu Yang |
| 2024 | Co-Supervisor | Computational selection and experimental investigation of a photocatalytic system capable of generating H radicals from hydrogen donor molecules | Doctor of Philosophy | Doctorate | Full Time | Mr Zi Kang Koi |
| 2024 | Principal Supervisor | Examining pyrolysis of metal organic frameworks by molecular simulation | Master of Philosophy | Master | Full Time | Mr Connor William Edwards |
| 2024 | Principal Supervisor | Examining pyrolysis of metal organic frameworks by molecular simulation | Master of Philosophy | Master | Full Time | Mr Connor William Edwards |
| 2024 | Co-Supervisor | Computational selection and experimental investigation of a photocatalytic system capable of generating H radicals from hydrogen donor molecules | Doctor of Philosophy | Doctorate | Full Time | Mr Zi Kang Koi |
| 2023 | Principal Supervisor | Advanced simulations of dynamic materials, such as COFs and MOFs, to produce better heterogeneous catalysts | Doctor of Philosophy | Doctorate | Full Time | Mr Konstantin Stracke |
| 2023 | Principal Supervisor | Advanced simulations of dynamic materials, such as COFs and MOFs, to produce better heterogeneous catalysts | Doctor of Philosophy | Doctorate | Full Time | Mr Konstantin Stracke |
| Date | Role | Research Topic | Program | Degree Type | Student Load | Student Name |
|---|---|---|---|---|---|---|
| 2022 - 2025 | Co-Supervisor | Predicting Concentration-Gradient- and Electric-Field-Driven Electrolyte Transport in Two-Dimensional Membranes |
Master of Philosophy | Master | Full Time | Miss Holly Baldock |
| Date | Role | Editorial Board Name | Institution | Country |
|---|---|---|---|---|
| 2024 - ongoing | Board Member | Communications Materials | Springer Nature Group | United Kingdom |
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