Kim Jelfs
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Kim Jelfs's AcademicInfluence.com Rankings
Kim Jelfschemistry Degrees
Chemistry
#5121
World Rank
#6244
Historical Rank
Inorganic Chemistry
#326
World Rank
#342
Historical Rank
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Chemistry
Kim Jelfs's Degrees
- PhD Chemistry University of Oxford
Why Is Kim Jelfs Influential?
(Suggest an Edit or Addition)According to Wikipedia, Kim E. Jelfs is a computational chemist based at Imperial College London who was one of the recipients of the Harrison-Meldola Memorial Prizes in 2018. She develops software to predict the structures and properties of molecular systems for renewable energy.
Kim Jelfs's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Polymer nanofilms with enhanced microporosity by interfacial polymerization. (2016) (482)
- Promoting transparency and reproducibility in enhanced molecular simulations (2019) (437)
- Separation of rare gases and chiral molecules by selective binding in porous organic cages. (2014) (412)
- Modular and predictable assembly of porous organic molecular crystals (2011) (374)
- Molecular shape sorting using molecular organic cages. (2013) (247)
- Porous organic cage nanocrystals by solution mixing. (2012) (194)
- Hierarchically Structure-Directing Effect of Multi-Ammonium Surfactants for the Generation of MFI Zeolite Nanosheets (2011) (178)
- On-off porosity switching in a molecular organic solid. (2011) (150)
- Porous Organic Cages for Sulfur Hexafluoride Separation (2016) (149)
- Hydrophilic microporous membranes for selective ion separation and flow-battery energy storage (2019) (147)
- Acid- and base-stable porous organic cages: shape persistence and pH stability via post-synthetic "tying" of a flexible amine cage. (2014) (141)
- High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis (2018) (116)
- Large self-assembled chiral organic cages: synthesis, structure, and shape persistence. (2011) (103)
- Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality. (2017) (97)
- Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents. (2014) (92)
- Reticular synthesis of porous molecular 1D nanotubes and 3D networks. (2017) (85)
- Shape Selectivity by Guest-Driven Restructuring of a Porous Material** (2014) (82)
- N-Aryl–linked spirocyclic polymers for membrane separations of complex hydrocarbon mixtures (2020) (81)
- Dimensionality transformation through paddlewheel reconfiguration in a flexible and porous Zn-based metal-organic framework. (2012) (79)
- Molecular dynamics simulations of gas selectivity in amorphous porous molecular solids. (2013) (77)
- A soft porous organic cage crystal with complex gas sorption behavior. (2011) (73)
- Structurally Diverse Covalent Triazine-Based Framework Materials for Photocatalytic Hydrogen Evolution from Water (2019) (64)
- In silico Design of Supramolecules from Their Precursors: Odd–Even Effects in Cage-Forming Reactions (2013) (61)
- Predicted crystal energy landscapes of porous organic cages (2014) (58)
- Maximising the hydrogen evolution activity in organic photocatalysts by co-polymerisation (2018) (55)
- Topological landscapes of porous organic cages. (2017) (51)
- Trapping virtual pores by crystal retro-engineering (2015) (48)
- Porosity in metal-organic framework glasses. (2016) (44)
- Shedding Light on Structure–Property Relationships for Conjugated Microporous Polymers: The Importance of Rings and Strain (2013) (43)
- Bespoke Force Field for Simulating the Molecular Dynamics of Porous Organic Cages (2012) (41)
- High-pressure carbon dioxide uptake for porous organic cages: comparison of spectroscopic and manometric measurement techniques. (2013) (40)
- pywindow: Automated Structural Analysis of Molecular Pores (2018) (40)
- Gas Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore Connectivity Using Molecular Dynamics Simulations (2014) (39)
- Machine Learning for Organic Cage Property Prediction (2018) (38)
- Molecular simulations to understand and to design porous organic molecules (2013) (37)
- Application of computational methods to the design and characterisation of porous molecular materials. (2017) (35)
- From Concept to Crystals via Prediction: Multi-Component Organic Cage Pots by Social Self-Sorting. (2019) (35)
- High-Throughput Screening Approach for the Optoelectronic Properties of Conjugated Polymers (2018) (35)
- Unstitching the nanoscopic mystery of zeolite crystal formation. (2010) (34)
- An extensive theoretical survey of low-density allotropy in silicon. (2010) (34)
- Computational Screening of Porous Organic Molecules for Xenon/Krypton Separation (2017) (34)
- stk: A python toolkit for supramolecular assembly (2018) (33)
- Understanding static, dynamic and cooperative porosity in molecular materials† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c6sc00713a (2016) (32)
- A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule. (2018) (31)
- Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods (2013) (28)
- Mixed hierarchical local structure in a disordered metal–organic framework (2020) (27)
- Periphery-Functionalized Porous Organic Cages. (2016) (26)
- Switching between Local and Global Aromaticity in a Conjugated Macrocycle for High‐Performance Organic Sodium‐Ion Battery Anodes (2020) (25)
- Amine Molecular Cages as Supramolecular Fluorescent Explosive Sensors: A Computational Perspective. (2016) (24)
- Conformational control of Pd2L4 assemblies with unsymmetrical ligands† (2019) (24)
- Spiral growth on nanoporous silicoaluminophosphate STA-7 as observed by atomic force microscopy (2009) (22)
- Imputation of Missing Gas Permeability Data for Polymer Membranes using Machine Learning (2020) (21)
- Predicting solvent effects on the structure of porous organic molecules. (2015) (20)
- Integrating Computational and Experimental Workflows for Accelerated Organic Materials Discovery (2021) (19)
- Chirality as a tool for function in porous organic cages. (2017) (19)
- Computationally-inspired discovery of an unsymmetrical porous organic cage. (2018) (18)
- Cage Doubling: Solvent-Mediated Re-equilibration of a [3 + 6] Prismatic Organic Cage to a Large [6 + 12] Truncated Tetrahedron (2018) (18)
- Molecular generation targeting desired electronic properties via deep generative models. (2019) (17)
- Fullerene Desymmetrization as a Means to Achieve Single‐Enantiomer Electron Acceptors with Maximized Chiroptical Responsiveness (2020) (17)
- Inducing Social Self‐Sorting in Organic Cages To Tune The Shape of The Internal Cavity† (2020) (17)
- Can we predict materials that can be synthesised? (2020) (17)
- Conformer interconversion in a switchable porous organic cage. (2011) (17)
- A solution-processable dissymmetric porous organic cage (2018) (15)
- Evidence for atomic mixing via multiple intermediates during the dynamic interconversion of silicate oligomers in solution. (2012) (15)
- Development of efficient aqueous organic redox flow batteries using ion-sieving sulfonated polymer membranes (2022) (15)
- Synthesis of a Large, Shape-Flexible, Solvatomorphic Porous Organic Cage (2019) (14)
- A Family of Superhelicenes: Easily Tunable, Chiral Nanographenes by Merging Helicity with Planar π Systems (2021) (14)
- Sterics and Hydrogen Bonding Control Stereochemistry and Self-Sorting in BINOL-Based Assemblies (2021) (14)
- Hydroxylation of silica nanoclusters (SiO2)M(H2O)N, M = 4, 8, 16, 24: stability and structural trends. (2013) (14)
- Organic Cage Dumbbells. (2019) (13)
- Porous organic cage crystals: characterising the porous crystal surface. (2012) (13)
- stk: An extendable Python framework for automated molecular and supramolecular structure assembly and discovery. (2021) (13)
- Tunable Porosity through Cooperative Diffusion in a Multicomponent Porous Molecular Crystal (2015) (12)
- Structure and energetics of hydroxylated silica clusters, (SiO2)M(H2O)N, M = 8, 16 and N = 1 − 4: A global optimisation study (2012) (10)
- A porous layered metal-organic framework from π–π-stacking of layers based on a Co6 building unit (2012) (10)
- The role of organic templates in controlling zeolite crystal morphology (2007) (10)
- The role of organic templates in controlling zeolite crystal morphology (2007) (10)
- High‐Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design (2021) (10)
- Computational Evaluation of the Diffusion Mechanisms for C8 Aromatics in Porous Organic Cages (2019) (8)
- The influence of nitrogen position on charge carrier mobility in enantiopure aza[6]helicene crystals. (2018) (8)
- HCGA: Highly comparative graph analysis for network phenotyping (2020) (8)
- Using high-throughput virtual screening to explore the optoelectronic property space of organic dyes; finding diketopyrrolopyrrole dyes for dye-sensitized water splitting and solar cells (2020) (7)
- Unlocking the computational design of metal–organic cages (2022) (7)
- Materials Precursor Score: Modeling Chemists’ Intuition for the Synthetic Accessibility of Porous Organic Cage Precursors (2021) (6)
- High-Throughput Approaches for the Discovery of Supramolecular Organic Cages. (2020) (6)
- Computational Screening of Chiral Organic Semiconductors: Exploring Side-Group Functionalization and Assembly to Optimize Charge Transport (2021) (6)
- Computational screening for nested organic cage complexes (2019) (6)
- An Introduction To Computational Methods (2008) (5)
- Computational discovery of molecular C60 encapsulants with an evolutionary algorithm (2019) (5)
- Long‐Life Aqueous Organic Redox Flow Batteries Enabled by Amidoxime‐Functionalized Ion‐Selective Polymer Membranes (2022) (4)
- Modeling the Effect of Defects and Disorder in Amorphous Metal–Organic Frameworks (2022) (4)
- Chapter 12. Artificial Intelligence Applied to the Prediction of Organic Materials (2020) (4)
- Explainable graph neural networks for organic cages (2021) (3)
- Multivariate analysis of disorder in metal–organic frameworks (2021) (3)
- Organic cage inclusion crystals exhibiting guest-enhanced multiphoton harvesting (2021) (3)
- Computational Screening of Organic Semiconductors: Exploring Side-Group Functionalisation and Assembly to Optimise Charge Transport in Chiral Molecules (2020) (3)
- Correction: A computational exploration of the crystal energy and charge-carrier mobility landscapes of the chiral [6]helicene molecule. (2018) (3)
- Into the Unknown: How Computation Can Help Explore Uncharted Material Space (2022) (2)
- Structure searching methods: general discussion. (2018) (2)
- Author Correction: Hydrophilic microporous membranes for selective ion separation and flow-battery energy storage (2019) (2)
- Porous liquids – the future is looking emptier (2022) (2)
- Chapter 1. Introduction to Computational Modelling of Microporous Materials (2021) (1)
- Solution-Processable Redox-Active Polymers of Intrinsic Microporosity for Electrochemical Energy Storage (2022) (1)
- Porous organic cage tectonics (2013) (1)
- Reticular Synthesis of Porous Molecular 1-Dimensional Nanotubes and 3-Dimensional Networks (2016) (1)
- Controlling anisotropic properties by manipulating the orientation of chiral small molecules. (2022) (1)
- Coarse-grained modelling to predict the packing of porous organic cages (2022) (0)
- Cover Picture: On–Off Porosity Switching in a Molecular Organic Solid (Angew. Chem. Int. Ed. 3/2011) (2011) (0)
- Titelbild: On–Off Porosity Switching in a Molecular Organic Solid (Angew. Chem. 3/2011) (2011) (0)
- Tetramine Aspect Ratio and Flexibility Determine Framework Symmetry for Zn8L6 Self-Assembled Structures. (2023) (0)
- Towards the computation-led design of porous molecular crystals (2012) (0)
- Orientational self-sorting in cuboctahedral Pd cages (2022) (0)
- Computational modeling to assist in the discovery of supramolecular materials (2022) (0)
- Predicting the packing behaviour of porous organic cages (2021) (0)
- Assembling pore networks in organic cage structures using molecular recognition (2013) (0)
- Emerging properties from mechanical tethering within a post-synthetically functionalised catenane scaffold (2022) (0)
- Chemical design by artificial intelligence. (2022) (0)
- Pore topology analysis in porous molecular systems (2023) (0)
- Chiral Materials: Fullerene Desymmetrization as a Means to Achieve Single‐Enantiomer Electron Acceptors with Maximized Chiroptical Responsiveness (Adv. Mater. 1/2021) (2021) (0)
- Modelling the growth of zeolitic materials (2010) (0)
- Observation of Rare Tri 6 Di 9 Imine Cages Using Highly Fluorinated Building Blocks (2022) (0)
- Materials Precursor Score: Modelling Chemists' Intuition for the Synthetic Accessibility of Porous Organic Cages (2021) (0)
- Correction: Using high-throughput virtual screening to explore the optoelectronic property space of organic dyes; finding diketopyrrolopyrrole dyes for dye-sensitized water splitting and solar cells (2021) (0)
- Crystal Structure Prediction (CSP) datasets of homochiral and racemic TCC1-3 crystals (2016) (0)
- Ion‐Selective Microporous Polymer Membranes with Hydrogen‐Bond and Salt‐Bridge Networks for Aqueous Organic Redox Flow Batteries (2023) (0)
- Exploiting weak supramolecular interactions to assemble organic cage materials (2014) (0)
- Corrigendum: Inducing Social Self-Sorting in Organic Cages To Tune The Shape of The Internal Cavity. (2020) (0)
- Crystal energy landscapes of intrinsically porous molecules (2011) (0)
- High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis (2018) (0)
- Lanthanide-Based MOF (2012) (0)
- Competitive aminal formation during the synthesis of a highly soluble, isopropyl-decorated imine porous organic cage (2023) (0)
- Correction to Emergent Properties of an Organic Semiconductor Driven by its Molecular Chirality. (2018) (0)
- Contents list. (2016) (0)
- Step 2 : Stabilization Step 3 : Compression Step 1 : Seeding NVE NPT Geometry Optimization Step 4 : Optimization (2015) (0)
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