| Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential FC Mocanu, K Konstantinou, TH Lee, N Bernstein, VL Deringer, G Csányi, ... The Journal of Physical Chemistry B 122 (38), 8998-9006, 2018 | 120 | 2018 |
| Revealing the intrinsic nature of the mid-gap defects in amorphous Ge 2 Sb 2 Te 5 K Konstantinou, FC Mocanu, TH Lee, SR Elliott Nature communications 10 (1), 3065, 2019 | 77 | 2019 |
| Origin of radiation tolerance in amorphous Ge2Sb2Te5 phase-change random-access memory material K Konstantinou, TH Lee, FC Mocanu, SR Elliott Proceedings of the National Academy of Sciences 115 (21), 5353-5358, 2018 | 36 | 2018 |
| Quench-rate and size-dependent behaviour in glassy Ge2Sb2Te5 models simulated with a machine-learned Gaussian approximation potential FC Mocanu, K Konstantinou, SR Elliott Journal of Physics D: Applied Physics 53 (24), 244002, 2020 | 25 | 2020 |
| Modelling the local atomic structure of molybdenum in nuclear waste glasses with ab initio molecular dynamics simulations K Konstantinou, PV Sushko, DM Duffy Physical Chemistry Chemical Physics 18 (37), 26125-26132, 2016 | 22 | 2016 |
| Structure and luminescence of intrinsic localized states in sodium silicate glasses K Konstantinou, DM Duffy, AL Shluger Physical review B 94 (17), 174202, 2016 | 17 | 2016 |
| On the Chemical Bonding of Amorphous Sb2Te3 FC Mocanu, K Konstantinou, J Mavračić, SR Elliott physica status solidi (RRL)–Rapid Research Letters 15 (3), 2000485, 2021 | 15 | 2021 |
| Structure and ionic diffusion of alkaline-earth ions in mixed cation glasses A2O–2MO–4SiO2 with molecular dynamics simulations K Konstantinou, PV Sushko, DM Duffy Journal of Non-Crystalline Solids 422, 57-63, 2015 | 14 | 2015 |
| Electric-field-induced annihilation of localized gap defect states in amorphous phase-change memory materials K Konstantinou, FC Mocanu, J Akola, SR Elliott Acta Materialia 223, 117465, 2022 | 13 | 2022 |
| Simulation of Phase‐Change‐Memory and Thermoelectric Materials using Machine‐Learned Interatomic Potentials: Sb2Te3 K Konstantinou, J Mavračić, FC Mocanu, SR Elliott physica status solidi (b) 258 (9), 2020 | 12 | 2020 |
| Ab initio computer simulations of non-equilibrium radiation-induced cascades in amorphous Ge2Sb2Te5 K Konstantinou, FC Mocanu, TH Lee, SR Elliott Journal of Physics: Condensed Matter 30 (45), 455401, 2018 | 12 | 2018 |
| Inherent electron and hole trapping in amorphous phase-change memory materials: Ge 2 Sb 2 Te 5 K Konstantinou, SR Elliott, J Akola Journal of Materials Chemistry C 10 (17), 6744-6753, 2022 | 6 | 2022 |
| Density functional simulations of a conductive bridging random access memory cell: Ag filament formation in amorphous J Akola, K Konstantinou, RO Jones Physical Review Materials 6 (3), 035001, 2022 | 4 | 2022 |
| Melt-quenched and as-deposited structures of amorphous selenium: a density functional/molecular dynamics comparison J Kalikka, K Konstantinou, J Akola, RO Jones Journal of Physics: Condensed Matter 33 (44), 445401, 2021 | 3 | 2021 |
| Electron localization in recrystallized models of the phase-change memory material K Konstantinou, FC Mocanu, J Akola Physical Review B 106 (18), 184103, 2022 | 2 | 2022 |
| Nonequilibrium ab initio molecular-dynamics simulations of lattice thermal conductivity in irradiated glassy Ge2Sb2Te5 FC Mocanu, K Konstantinou, SR Elliott Applied Physics Letters 116 (3), 2020 | 2 | 2020 |
| Atomistic modelling of charge‐trapping defects in amorphous Ge‐Sb‐Te phase‐change memory materials K Konstantinou, SR Elliott physica status solidi (RRL)–Rapid Research Letters, 2200496, 2023 | 1 | 2023 |
| Computational modelling of structural, dynamical and electronic properties of multicomponent silicate glasses K Konstantinou UCL (University College London), 2017 | 1 | 2017 |
| Quench-rate and size-dependent behaviour in glassy Ge2Sb2Te5 models simulated with a machine-learned Gaussian Approximation Potential S Elliott, K Konstantinou, FC Mocanu Institute of Physics Publishing, 2020 | | 2020 |
| A first-principles study on the lattice thermal conductivity of irradiated glassy states of the GeSbTe phase-change memory material FC Mocanu, K Konstantinou, SR Elliott arXiv preprint arXiv:1906.00846, 2019 | | 2019 |
