Thomas W Keal

16PUBLICATIONS
45CO-AUTHORS
Computational chemistryPyrometallurgyCrystallographyColloid and surface chemistryPolymerisation mechanisms
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Publications (16)

|Aug 31, 2026
Hybrid HPC and Quantum Computing Framework for Multiscale Modeling of Chemical Systems.

|Aug 04, 2026
Formation, structure and dynamics of hydroxyl nest defects in zeolites.

|Jul 07, 2026
Interfacial Nucleation Pathways Governing Polymorph Selection Revealed by Synchrotron-Based In Situ GIWAXS and Molecular Simulations.

|Sep 09, 2025
Surface-Driven Electron Localization and Defect Heterogeneity in Ceria.

Xingfan Zhang, Akira Yoko, Yi Zhou

|Aug 18, 2025
Double crossed? Structural and computational studies of an unusually crosslinked haem in Methylococcus capsulatus cytochrome P460.

Hans E Pfalzgraf, Aditya G Rao, Kakali Sen

|Jun 05, 2024
Environment-Driven Variability in Absolute Band Edge Positions and Work Functions of Reduced Ceria.

Xingfan Zhang, Christopher Blackman, Robert G Palgrave

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Frequent Collaborators

9 joint publications

C Richard A Catlow

8 joint publications

Alexey A Sokol

7 joint publications

You Lu

6 joint publications

Xingfan Zhang