Chris-Kriton Skylaris

7PUBLICATIONS
18CO-AUTHORS
Theoretical quantum chemistryElectrical circuits and systemsElectrical energy generation (incl. renewables, excl. photovoltaics)Statistical mechanics in chemistryOrganic semiconductors
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Publications (7)

|Dec 16, 2021
Massively parallel linear-scaling Hartree-Fock exchange and hybrid exchange-correlation functionals with plane wave basis set accuracy.

Jacek Dziedzic, James C Womack, Rozh Ali

|Jul 16, 2021
Electrochemistry from first-principles in the grand canonical ensemble.

Arihant Bhandari, Chao Peng, Jacek Dziedzic

|Oct 02, 2020
Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces.

Arihant Bhandari, Lucian Anton, Jacek Dziedzic

|May 10, 2020
The ONETEP linear-scaling density functional theory program.

Joseph C A Prentice, Jolyon Aarons, James C Womack

|Sep 23, 2019
Modification of O and CO binding on Pt nanoparticles due to electronic and structural effects of titania supports.

Tom Ellaby, Ludovic Briquet, Misbah Sarwar

|Feb 24, 2019
Mutually polarizable QM/MM model with in situ optimized localized basis functions.

Jacek Dziedzic, Teresa Head-Gordon, Martin Head-Gordon

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Frequent Collaborators

5 joint publications

Jacek Dziedzic

2 joint publications

Peter D Haynes

2 joint publications

James C Womack

2 joint publications

Arihant Bhandari