Kim E Jelfs (K E Jelfs)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 62

Top Venues

Chemical science

Angewandte Chemie (International ed. in English)

Chemical communications (Cambridge, England)

Advanced materials (Deerfield Beach, Fla.)

University College London (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

University College London

United Kingdom

PHD

Publications

Annabel R Basford, Steven K Bennett, Muye Xiao, Lukas Turcani, Jasmine Allen, Kim E Jelfs, Rebecca L Greenaway
Streamlining the automated discovery of porous organic cages. Chemical science 15 (17) (2024)
Gokay Avci, Kim E Jelfs
Enhancing discovery of host-guest binders. Nature computational science (2024)
Annabel R Basford, Steven K Bennett, Muye Xiao, Lukas Turcani, Jasmine Allen, Kim E Jelfs, Rebecca L Greenaway
Streamlining the automated discovery of porous organic cages. Chemical science 15 (17) (2024)
Jack A Davies, Andrew Tarzia, Tanya K Ronson, Florian Auras, Kim E Jelfs, Jonathan R Nitschke
Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn 8 L 6 Self-Assembled Structures. Angewandte Chemie (International ed. in English) (2023)
Anqi Wang, Rui Tan, Dezhi Liu, Jiaxin Lu, Xiaochu Wei, Alberto Alvarez Fernandez, Chunchun Ye, Charlotte Breakwell, Stefan Guldin, Anthony R J Kucernak, Kim E Jelfs, Nigel P Brandon, Neil B McKeown, Qilei Song
Ion-selective Microporous Polymer Membranes with Hydrogen-bond and Salt-bridge Networks for Aqueous Organic Redox Flow Batteries. Advanced materials (Deerfield Beach, Fla.) (2023)
Anqi Wang, Rui Tan, Dezhi Liu, Jiaxin Lu, Xiaochu Wei, Alberto Alvarez Fernandez, Chunchun Ye, Charlotte Breakwell, Stefan Guldin, Anthony R J Kucernak, Kim E Jelfs, Nigel P Brandon, Neil B McKeown, Qilei Song
Ion-Selective Microporous Polymer Membranes with Hydrogen-Bond and Salt-Bridge Networks for Aqueous Organic Redox Flow Batteries. Advanced materials (Deerfield Beach, Fla.) (2023)
Emma H Wolpert, Andrew Tarzia, Kim E Jelfs
The effect of disorder in multi-component covalent organic frameworks. Chemical communications (Cambridge, England) (2023)
Jiajun Zhou, Austin M Mroz, Kim E Jelfs
Deep generative design of porous organic cages via a variational autoencoder. Digital discovery 2 (6) (2023)
Verity Anipa, Andrew Tarzia, Kim E Jelfs, Eugeny V Alexandrov, Matthew A Addicoat
Pore topology analysis in porous molecular systems. Royal Society open science 10 (2) (2023)
Anqi Wang, Rui Tan, Dezhi Liu, Jiaxin Lu, Xiaochu Wei, Alberto Alvarez Fernandez, Chunchun Ye, Charlotte Breakwell, Stefan Guldin, Anthony R J Kucernak, Kim E Jelfs, Nigel P Brandon, Neil B McKeown, Qilei Song
Ion-Selective Microporous Polymer Membranes with Hydrogen-Bond and Salt-Bridge Networks for Aqueous Organic Redox Flow Batteries. Advanced materials (Deerfield Beach, Fla.) 35 (12) (2023)
Rachel J Kearsey, Andrew Tarzia, Marc A Little, Michael C Brand, Rob Clowes, Kim E Jelfs, Andrew I Cooper, Rebecca L Greenaway
Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage. Chemical communications (Cambridge, England) (2023)
Nicholas C Bruno, Ronita Mathias, Young Joo Lee, Guanghui Zhu, Yun-Ho Ahn, Neel D Rangnekar, J R Johnson, Scott J Hoy, Irene Bechis, Andrew Tarzia, Kim E Jelfs, Benjamin A McCool, Ryan P Lively, Neal K Devaraj
Solution-processable polytriazoles from spirocyclic monomers for membrane-based hydrocarbon separations. Nature materials (2023)
Jack A Davies, Andrew Tarzia, Tanya K Ronson, Florian Auras, Kim E Jelfs, Jonathan R Nitschke
Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn 8 L 6 Self-Assembled Structures. Angewandte Chemie (International ed. in English) 62 (10) (2023)
Rebecca L Greenaway, Kim E Jelfs, Alan C Spivey, Sophia N Yaliraki
From alchemist to AI chemist. Nature reviews. Chemistry (2023)
Julia A Schmidt, Emma H Wolpert, Grace M Sparrow, Erin R Johnson, Kim E Jelfs
Effect of [ n ]-Helicene Length on Crystal Packing. Crystal growth & design 23 (12) (2023)
Rachel J Kearsey, Andrew Tarzia, Marc A Little, Michael C Brand, Rob Clowes, Kim E Jelfs, Andrew I Cooper, Rebecca L Greenaway
Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage. Chemical communications (Cambridge, England) 59 (25) (2023)
Rachel J Kearsey, Andrew Tarzia, Marc A Little, Michael C Brand, Rob Clowes, Kim E Jelfs, Andrew I Cooper, Rebecca L Greenaway
Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage. Chemical communications (Cambridge, England) 59 (25) (2023)
Jack A Davies, Andrew Tarzia, Tanya K Ronson, Florian Auras, Kim E Jelfs, Jonathan R Nitschke
Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn 8 L 6 Self-Assembled Structures. Angewandte Chemie (International ed. in English) 62 (10) (2023)
Rachel J Kearsey, Andrew Tarzia, Marc A Little, Michael C Brand, Rob Clowes, Kim E Jelfs, Andrew I Cooper, Rebecca L Greenaway
Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage. Chemical communications (Cambridge, England) 59 (25) (2023)
Verity Anipa, Andrew Tarzia, Kim E Jelfs, Eugeny V Alexandrov, Matthew A Addicoat
Pore topology analysis in porous molecular systems. Royal Society open science 10 (2) (2023)
Andrew Tarzia, Emma H Wolpert, Kim E Jelfs, Giovanni M Pavan
Systematic exploration of accessible topologies of cage molecules via minimalistic models. Chemical science 14 (44) (2023)
Benjamin D Egleston, Austin M Mroz, Kim E Jelfs, Rebecca L Greenaway
Porous liquids - the future is looking emptier. Chemical science 13 (18) (2022)
Irene Bechis, Adam F Sapnik, Andrew Tarzia, Emma H Wolpert, Matthew A Addicoat, David A Keen, Thomas Douglas Bennett, Kim E Jelfs
Modeling the Effect of Defects and Disorder in Amorphous Metal-Organic Frameworks. Chemistry of materials : a publication of the American Chemical Society 34 (20) (2022)
Qi Yuan, Filip T Szczypiński, Kim E Jelfs
Explainable graph neural networks for organic cages. Digital discovery 1 (2) (2022)
Kim E Jelfs
Computational modeling to assist in the discovery of supramolecular materials. Annals of the New York Academy of Sciences (2022)
Emma H Wolpert, Kim E Jelfs
Coarse-grained modelling to predict the packing of porous organic cages. Chemical science 13 (45) (2022)
Jessica Wade, Francesco Salerno, Rachel C Kilbride, Dong Kuk Kim, Julia A Schmidt, Joel A Smith, Luc M LeBlanc, Emma H Wolpert, Adebayo A Adeleke, Erin R Johnson, Jenny Nelson, Tadashi Mori, Kim E Jelfs, Sandrine Heutz, Matthew John Fuchter
Controlling anisotropic properties by manipulating the orientation of chiral small molecules. Nature chemistry (2022)
Andrew Tarzia, Kim E Jelfs
Unlocking the computational design of metal-organic cages. Chemical communications (Cambridge, England) 58 (23) (2022)
Emma H Wolpert, Kim E Jelfs
Coarse-grained modelling to predict the packing of porous organic cages. Chemical science 13 (45) (2022)
Austin M Mroz, Victor Posligua, Andrew Tarzia, Emma H Wolpert, Kim E Jelfs
Into the Unknown: How Computation Can Help Explore Uncharted Material Space. Journal of the American Chemical Society 144 (41) (2022)
Nadia Hoyas Pérez, Peter S Sherin, Victor Posligua, Jake L Greenfield, Matthew John Fuchter, Kim E Jelfs, Marina K Kuimova, James E M Lewis
Emerging properties from mechanical tethering within a post-synthetically functionalised catenane scaffold. Chemical science 13 (38) (2022)
Ru-Jin Li, Andrew Tarzia, Victor Posligua, Kim E Jelfs, Nicolas Sanchez, Adam Marcus, Ananya Baksi, Guido H Clever, Farzaneh Fadaei Tirani, Kay Severin
Orientational self-sorting in cuboctahedral Pd cages. Chemical science 13 (40) (2022)
Adam F Sapnik, Irene Bechis, Alice M Bumstead, Timothy Johnson, Phillip A Chater, David A Keen, Kim E Jelfs, Thomas Douglas Bennett
Multivariate analysis of disorder in metal-organic frameworks. Nature communications 13 (1) (2022)
Chunchun Ye, Anqi Wang, Charlotte Breakwell, Rui Tan, C Grazia Bezzu, Elwin Hunter-Sellars, Daryl R Williams, Nigel P Brandon, Peter A A Klusener, Anthony R J Kucernak, Kim E Jelfs, Neil B McKeown, Qilei Song
Development of efficient aqueous organic redox flow batteries using ion-sieving sulfonated polymer membranes. Nature communications 13 (1) (2022)
Daniel H Ess, Kim E Jelfs, Heather J Kulik
Chemical design by artificial intelligence. The Journal of chemical physics 157 (12) (2022)
Rebecca L Greenaway, Kim E Jelfs
Integrating Computational and Experimental Workflows for Accelerated Organic Materials Discovery. Advanced materials (Deerfield Beach, Fla.) 33 (11) (2021)
Andrew Tarzia, James E M Lewis, Kim E Jelfs
High-Throughput Computational Evaluation of Low Symmetry Pd2 L4 Cages to Aid in System Design*. Angewandte Chemie (International ed. in English) 60 (38) (2021)
Adam F Sapnik, Irene Bechis, Sean Michael Collins, Duncan N Johnstone, Giorgio Divitini, Andrew J Smith, Phillip A Chater, Matthew A Addicoat, Timothy Johnson, David A Keen, Kim E Jelfs, Thomas Douglas Bennett
Mixed hierarchical local structure in a disordered metal-organic framework. Nature communications 12 (1) (2021)
Rebecca L Greenaway, Kim E Jelfs
High-Throughput Approaches for the Discovery of Supramolecular Organic Cages. ChemPlusChem 85 (8) (2021)
You-Quan Zou, Dawei Zhang, Tanya K Ronson, Andrew Tarzia, Zifei Lu, Kim E Jelfs, Jonathan R Nitschke
Sterics and Hydrogen Bonding Control Stereochemistry and Self-Sorting in BINOL-Based Assemblies. Journal of the American Chemical Society 143 (24) (2021)
David Reger, Philipp Haines, Konstantin Yu Amsharov, Julia A Schmidt, Tobias Ullrich, Simon Bönisch, Frank Hampel, Andreas Görling, Jenny Nelson, Kim E Jelfs, Dirk Michael Guldi, Norbert Jux
A Family of Superhelicenes: Easily Tunable, Chiral Nanographenes by Merging Helicity with Planar π Systems. Angewandte Chemie (International ed. in English) 60 (33) (2021)
Steven Bennett, Filip T Szczypiński, Lukas Turcani, Michael E Briggs, Rebecca L Greenaway, Kim E Jelfs
Materials Precursor Score: Modeling Chemists' Intuition for the Synthetic Accessibility of Porous Organic Cage Precursors. Journal of chemical information and modeling 61 (9) (2021)
Lukas Turcani, Andrew Tarzia, Filip T Szczypiński, Kim E Jelfs
stk: An extendable Python framework for automated molecular and supramolecular structure assembly and discovery. The Journal of chemical physics 154 (21) (2021)
Kirstie A Thompson, Ronita Mathias, Daeok Kim, Jihoon Kim, Neel D Rangnekar, J R Johnson, Scott J Hoy, Irene Bechis, Andrew Tarzia, Kim E Jelfs, Benjamin A McCool, Andrew G Livingston, Ryan P Lively, Neal K Devaraj
N-Aryl-linked spirocyclic polymers for membrane separations of complex hydrocarbon mixtures. Science (New York, N.Y.) 369 (6501) (2020)
Marcin Miklitz, Lukas Turcani, Rebecca L Greenaway, Kim E Jelfs
Computational discovery of molecular C 60 encapsulants with an evolutionary algorithm. Communications chemistry 3 (1) (2020)
Valentina Abet, Filip T Szczypiński, Marc A Little, Valentina Santolini, Christopher D Jones, Robert Evans, Craig Wilson, Xiaofeng Wu, Michael F Thorne, Michael J Bennison, Peng Cui, Andrew I Cooper, Kim E Jelfs, Anna G Slater
Inducing Social Self-Sorting in Organic Cages To Tune The Shape of The Internal Cavity. Angewandte Chemie (International ed. in English) 59 (38) (2020)
Filip T Szczypiński, Steven Bennett, Kim E Jelfs
Can we predict materials that can be synthesised? Chemical science 12 (3) (2020)
Qi Yuan, Alejandro Santana-Bonilla, Martijn A Zwijnenburg, Kim E Jelfs
Molecular generation targeting desired electronic properties via deep generative models. Nanoscale 12 (12) (2020)
Simon Eder, Dong-Joo Yoo, Wojciech Nogala, Matthias Pletzer, Alejandro Santana Bonilla, Andrew J P White, Kim E Jelfs, Martin Heeney, Jang Wook Choi, Florian Glöcklhofer
Switching between Local and Global Aromaticity in a Conjugated Macrocycle for High-Performance Organic Sodium-Ion Battery Anodes. Angewandte Chemie (International ed. in English) 59 (31) (2020)
Marcin Miklitz, Lukas Turcani, Rebecca L Greenaway, Kim E Jelfs
Computational discovery of molecular C 60 encapsulants with an evolutionary algorithm. Communications chemistry 3 (1) (2020)
Rebecca L Greenaway, Valentina Santolini, Filip T Szczypiński, Michael J Bennison, Marc A Little, Andrew Marsh, Kim E Jelfs, Andrew I Cooper
Organic Cage Dumbbells. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (17) (2020)
Liam Wilbraham, Reiner Sebastian Sprick, Kim E Jelfs, Martijn A Zwijnenburg
Mapping binary copolymer property space with neural networks. Chemical science 10 (19) (2019)
Rebecca L Greenaway, Valentina Santolini, Angeles Pulido, Marc A Little, Ben M Alston, Michael E Briggs, Graeme M Day, Andrew I Cooper, Kim E Jelfs
From Concept to Crystals via Prediction: Multi-Component Organic Cage Pots by Social Self-Sorting. Angewandte Chemie (International ed. in English) 58 (45) (2019)
James E M Lewis, Andrew Tarzia, Andrew J P White, Kim E Jelfs
Conformational control of Pd2L4 assemblies with unsymmetrical ligands. Chemical science 11 (3) (2019)
Beth Rice, Luc M LeBlanc, Alberto Otero-de-la-Roza, Matthew John Fuchter, Erin R Johnson, Jenny Nelson, Kim E Jelfs
A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule. Nanoscale 10 (4) (2018)
Enrico Berardo, Lukas Turcani, Marcin Miklitz, Kim E Jelfs
An evolutionary algorithm for the discovery of porous organic cages. Chemical science 9 (45) (2018)
Liam Wilbraham, Enrico Berardo, Lukas Turcani, Kim E Jelfs, Martijn A Zwijnenburg
High-Throughput Screening Approach for the Optoelectronic Properties of Conjugated Polymers. Journal of chemical information and modeling 58 (12) (2018)
Valentina Santolini, Marcin Miklitz, Enrico Berardo, Kim E Jelfs
Topological landscapes of porous organic cages. Nanoscale 9 (16) (2018)
Marcin Miklitz, Kim E Jelfs
pywindow: Automated Structural Analysis of Molecular Pores. Journal of chemical information and modeling 58 (12) (2018)
Tom Hasell, Marc A Little, Samantha Yu-Ling Chong, M Schmidtmann, Michael E Briggs, V Santolini, Kim E Jelfs, A I Cooper
Chirality as a tool for function in porous organic cages. Nanoscale 9 (20) (2018)
Ying Yang, Beth Rice, Xingyuan Shi, Jochen R Brandt, Rosenildo Correa da Costa, Gordon J Hedley, Detlef-Matthias Smilgies, Jarvist M Frost, Ifor D W Samuel, Alberto Otero-de-la-Roza, Erin R Johnson, Kim E Jelfs, Jenny Nelson, Alasdair J Campbell, Matthew John Fuchter
Correction to Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality. ACS nano 12 (6) (2018)
Ying Yang, Beth Rice, Xingyuan Shi, Jochen R Brandt, Rosenildo Correa da Costa, Gordon J Hedley, Detlef-M Smilgies, Jarvist M Frost, Ifor D W Samuel, Alberto Otero-de-la-Roza, Erin R Johnson, Kim E Jelfs, Jenny Nelson, Alasdair J Campbell, Matthew John Fuchter
Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality. ACS nano 11 (8) (2017)

Kim E Jelfs.css-eqlu8i{font-size:small;padding-left:4px;} (K E Jelfs)

Publication Activity (10 Years)

Top Topics

Top Venues

Kim E Jelfs (K E Jelfs)