Dr Jack Evans
Grant-Funded Researcher (B)
School of Physics, Chemistry and Earth Sciences
Faculty of Sciences, Engineering and Technology
Eligible to supervise Masters and PhD - email supervisor to discuss availability.
I am a computational chemist endeavouring to improve our understanding of the chemical and physical properties of emerging materials. Part of my research is supported by direct collaboration with several high profile experimental teams, such at the Sumby-Doonan research group.
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Appointments
Date Position Institution name 2021 - ongoing Ramsay Fellow University of Adelaide 2017 - 2021 Postdoctoral researcher Dresden University of Technology 2015 - 2017 Postdoctoral researcher Chimie ParisTech -
Education
Date Institution name Country Title University of Adelaide Australia Ph.D. -
Research Interests
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Journals
Year Citation 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.
Scopus12024 Stracke, K., & Evans, J. D. (2024). The rise of data repositories in materials chemistry. Communications Chemistry, 7(1), 4 pages.
2024 Qi, A., Li, C., Evans, J. D., Zhao, Y., & Li, T. (2024). Self-sorting of Interfacial Compatibility in MOF-based Mixed Matrix Membranes.. Angewandte Chemie (International ed. in English), e202400474.
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. Proceedings of the National Academy of Sciences of the United States of America, 120(3), 11 pages.
Scopus22023 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 Transactions, 52(9), 2816-2824.
Scopus5 WoS32023 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.
Scopus9 WoS4 Europe PMC22023 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.
Scopus32023 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.
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.
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.
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-e202314378-10.
Scopus4 WoS12023 Ernst, M., Evans, J. D., & Gryn'ova, G. (2023). Host-guest interactions in framework materials: Insight from modeling. CHEMICAL PHYSICS REVIEWS, 4(4), 28 pages.
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).
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.
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.
2023 Gimeno-Fonquernie, P., Albalad, J., Price, J. R., Bloch, W. M., Evans, J. D., Doonan, C. J., & Sumby, C. J. (2023). Topological analysis and control of post-synthetic metalation sites in Zr-based metal-organic frameworks. Journal of Materials Chemistry C, 12(7), 2359-2369.
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.
Scopus6 WoS52022 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.
Scopus12022 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.
Scopus28 WoS18 Europe PMC72022 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.
Scopus27 WoS18 Europe PMC52022 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.
Scopus98 WoS66 Europe PMC252022 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.
Scopus6 WoS4 Europe PMC42022 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.
Scopus3 WoS32022 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.
Scopus3 WoS2 Europe PMC12022 Evans, J. D. (2022). An approach for the pore-centred description of adsorption in hierarchical porous materials. CRYSTENGCOMM, 2022(24), 7326-7334.
Scopus2 WoS12021 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.
Scopus12021 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.
Scopus6 WoS4 Europe PMC22021 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.
Scopus9 WoS11 Europe PMC22021 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.
Scopus5 WoS42021 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.
Scopus6 WoS4 Europe PMC12021 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.
Scopus31 WoS312021 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.
Scopus23 WoS172021 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.
Scopus12 WoS13 Europe PMC22021 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.
Scopus15 WoS11 Europe PMC12021 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.
Scopus45 WoS39 Europe PMC152021 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.
Scopus19 WoS17 Europe PMC62021 Evans, J. D., Bon, V., Senkovska, I., & Kaskel, S. (2021). A Universal Standard Archive File for Adsorption Data. Langmuir, 37(14), 4222-4226.
Scopus37 WoS27 Europe PMC62021 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.
Scopus13 WoS14 Europe PMC102021 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.
Scopus14 WoS14 Europe PMC72020 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.
Scopus8 WoS7 Europe PMC32020 Evans, J. D., Bon, V., Senkovska, I., Lee, H. C., & Kaskel, S. (2020). Four-dimensional metal-organic frameworks. Nature Communications, 11(1), 1-11.
Scopus99 WoS76 Europe PMC232020 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.
Scopus24 WoS22 Europe PMC72020 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.
Scopus41 WoS34 Europe PMC72020 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.
Scopus26 WoS252019 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.
Scopus52 WoS432019 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.
Scopus60 WoS57 Europe PMC182019 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.
Scopus26 WoS23 Europe PMC112019 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.
Scopus25 WoS232019 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.
Scopus72 WoS57 Europe PMC162019 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.
Scopus47 WoS442019 Coudert, F. X., & Evans, J. D. (2019). Nanoscale metamaterials: Meta-MOFs and framework materials with anomalous behavior. Coordination Chemistry Reviews, 388, 48-62.
Scopus46 WoS392018 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 WoS12018 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.
Scopus43 WoS41 Europe PMC82018 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.
Scopus271 WoS223 Europe PMC352018 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.
Scopus11 WoS11 Europe PMC52017 Evans, J. D., & Coudert, F. X. (2017). Predicting the Mechanical Properties of Zeolite Frameworks by Machine Learning. Chemistry of Materials, 29(18), 7833-7839.
Scopus140 WoS1152017 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.
Scopus64 WoS632017 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.
Scopus67 WoS57 Europe PMC162016 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.
Scopus57 WoS56 Europe PMC172016 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.
Scopus495 WoS4402016 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.
Scopus41 WoS332016 Burgun, A., Valente, P., Evans, J., Huang, D., Sumby, C., & Doonan, C. (2016). Endohedrally functionalised porous organic cages. Chemical Communications, 52(57), 8850-8853.
Scopus27 WoS24 Europe PMC72016 Evans, J. D., Bocquet, L., & Coudert, F. X. (2016). Origins of Negative Gas Adsorption. Chem, 1(6), 873-886.
Scopus85 WoS752016 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.
Scopus36 WoS32 Europe PMC72015 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.
Scopus41 WoS352015 Evans, J., Sumby, C., & Doonan, C. (2015). Synthesis and applications of porous organic cages. Chemistry Letters, 44(5), 582-588.
Scopus74 WoS692014 Evans, J. D., Sumby, C. J., & Doonan, C. J. (2014). Post-synthetic metalation of metal–organic frameworks. Chemical Society reviews, 43(16), 5933-5951.
Scopus506 WoS460 Europe PMC1062014 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.
Scopus72 WoS652013 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.
Scopus34 WoS30 Europe PMC92013 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.
Scopus128 WoS118 Europe PMC452012 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.
Scopus13 WoS12 Europe PMC3 -
Book Chapters
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.
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Current Higher Degree by Research Supervision (University of Adelaide)
Date Role Research Topic Program Degree Type Student Load Student Name 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 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 2022 Co-Supervisor Predicting concentration-gradient-driven fluid flow in 2D membranes Master of Philosophy Master Full Time Miss Holly Carol Maria Baldock
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