Browsing by Author Skylaris, Chris-Kriton

Showing results 1 to 7 of 7
Issue DateTitleAuthor(s)
28-May-2021Ab initio molecular dynamics study of AlCl4- adsorption on PEDOT conducting polymer chainsCraig, Benjamin; Skylaris, Chris-Kriton; Ponce De Leon Albarran, Carlos; Kramer, Denis 
12-Jul-2021Electrochemistry from first-principles in the grand canonical ensembleBhandari, Arihant; Peng, Chao; Dziedzic, Jacek; Anton, Lucian; Owen, John R.; Kramer, Denis ; Skylaris, Chris-Kriton
2020Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfacesBhandari, Arihant; Anton, Lucian; Dziedzic, Jacek; Peng, Chao; Kramer, Denis ; Skylaris, Chris-Kriton
2020Lithium intercalation edge effects and doping implications for graphite anodesPeng, Chao; Mercer, Michael P.; Skylaris, Chris-Kriton; Kramer, Denis 
20-Jul-2021Mechanism of Li nucleation at graphite anodes and mitigation strategiesPeng, Chao; Bhandari, Arihant; Dziedzic, Jacek; Owen, John R.; Skylaris, Chris-Kriton; Kramer, Denis 
9-Apr-2020Practical approach to large-scale electronic structure calculations in electrolyte solutions via continuum-embedded linear-scaling density functional theoryDziedzic, Jacek; Bhandari, Arihant; Anton, Lucian; Peng, Chao; Womack, James C.; Famili, Marjan; Kramer, Denis ; Skylaris, Chris-Kriton
7-Dec-2021Pushing the boundaries of lithium battery research with atomistic modelling on dfferent scalesMorgan, Lucy; Mercer, Michael; Bhandari, Arihant; Peng, Chao; Islam, Mazharul M.; Yang, Hui; Holland, Julian Oliver; Coles, Samuel William; Sharpe, Ryan; Walsh, Aron; Morgan, Benjamin J.; Kramer, Denis ; Islam, Saiful M.; Hoster, Harry; Edge, Jacqueline Sophie; Skylaris, Chris-Kriton