Kim E Jelfs

69PUBLICATIONS
175CO-AUTHORS
Theory and design of materialsElectrical energy generation (incl. renewables, excl. photovoltaics)Organic semiconductorsModelling and simulationOptical properties of materials
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Publications (69)

|Oct 23, 2026
The role of shape and interaction directionality in the crystalline phase behaviour of octahedral metal-organic cages.

|Oct 23, 2026
RedoxDB and RedEx: closing the DFT-experiment domain gap in redox potential prediction with transfer learning.

|Jul 20, 2026
A computational study of organic molecular crystals for photocatalytic water splitting.

|Jan 19, 2026
Expanding the chemical space of ionic liquids using conditional variational autoencoders.

Gaopeng Ren, Austin M Mroz, Frederik Philippi

|Aug 29, 2025
Comparative analysis of search approaches to discover donor molecules for organic solar cells.

Mohammed Azzouzi, Steven Bennett, Victor Posligua

|Aug 15, 2025
Chirality-Assisted Self-Assembly of Low-Symmetry Noncovalent Capsules with Quantitative Diastereoisomeric Selection.

Grzegorz Markiewicz, Xujun Qiu, Gokay Avci

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Frequent Collaborators

17 joint publications

Andrew Tarzia

13 joint publications

Rebecca L Greenaway

11 joint publications

Emma H Wolpert

8 joint publications

Austin Mroz