Chris‐Kriton Skylaris

The Faraday Institution — United Kingdom

Physics and Astronomy · Physical Sciences

44h-index6.0kcitations235works1.52yr avg
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Research Topics

Advanced Chemical Physics Studies(64), Spectroscopy and Quantum Chemical Studies(49), Machine Learning in Materials Science(31), Protein Structure and Dynamics(26), Electrocatalysts for Energy Conversion(17)

Publications235 total

The Effect of Salt Concentration on Electrochemical Stability in Li-ion Battery Electrolytes
2025Open Access
Understanding the Oxidative Stability of LiPF <sub>6</sub> at Charged Ni Rich Cathode Interfaces
ECS Meeting Abstracts·2025
Author response for "Multi-scale Modeling and Experimental Investigation of Oxidation Behavior in Platinum Nanoparticles"
2025
Exploring the interactions of ZDDP additive with hematite surfaces: a DFT+<i>U</i> study
Journal of Physics Condensed Matter·2025· 1 citedOpen Access
Bridging Oxide Thermodynamics and Site-Blocking: A Computational Study of ORR Activity on Platinum Nanoparticles
ACS Catalysis·2025· 6 citedOpen Access
Asynchronous Swarm-Based Global Optimisation: Overcoming Premature Convergence to Produce Realistic Pt Nanoparticle Ensembles
2025Open Access
Bridging Oxide Thermodynamics and Site-Blocking: A Computational Study of ORR Activity on Platinum Nanoparticles
2025Open Access
Bridging Oxide Thermodynamics and Site-Blocking: A Computational Study of ORR Activity on Platinum Nanoparticles
2025Open Access
Multi-scale modeling and experimental investigation of oxidation behavior in platinum nanoparticles
Physical Chemistry Chemical Physics·2025· 1 citedOpen Access
pyGlobOpt: Parallel Global Optimization Software for Nanoclusters, Materials, and Beyond
2024· 1 citedOpen Access
Bridging Oxide Thermodynamics and Site-Blocking: A Computational Study of ORR Activity on Platinum Nanoparticles
2024Open Access
Asynchronous Swarm-Based Global Optimisation: Overcoming Premature Convergence to Produce Realistic Pt Nanoparticle Ensembles
2024Open Access
A Comparison of Modern Solvation Models for Oxygen Reduction at the Pt(111) Interface
The Journal of Physical Chemistry C·2024· 10 citedOpen Access
Asynchonous Swarm-Based Global Optimisation: Overcoming Premature Convergence to Produce Realistic Pt Nanoparticle Ensembles
2024· 1 citedOpen Access
A Comparison of Modern Solvation Models for Oxygen Reduction at the Pt(111) Interface
2024Open Access
Multi-scale Modeling and Experimental Investigation of Oxidation Behavior in Platinum Nanoparticles
2024· 1 citedOpen Access
Author response for "Mechanisms of Li deposition on graphite anodes: surface coverage and cluster growth"
2024
A comparison of modern solvation models for oxygen reduction at the Pt(111) interface
2024Open Access
Large-scale density functional theory simulations of defects and hydrogen incorporation in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mi>PuO</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math>
Physical review. B./Physical review. B·2024· 1 citedOpen Access
Conformational Analysis of 1,3-Difluorinated Alkanes
The Journal of Organic Chemistry·2024· 2 citedOpen Access
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Frequent Co-authors

M. C. Payne(17), Peter D. Haynes(14), Arash A. Mostofi(13), Jacek Dziedzic(8), Thomas Fox(6), Christofer S. Tautermann(6), Nicholas D. M. Hine(6), Jonathan W. Essex(6), Daniel J. Cole(5), Jolyon Aarons(4), Stephen Fox(4), Maximillian J. S. Phipps(3), Louis P. Lee(3), Laura Gagliardi(3), Nicholas C. Handy(3), Andrew G. Ioannou(3), Andrew Willetts(3), Misbah Sarwar(3), Teresa Head‐Gordon(3), Martin Head‐Gordon(3)