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 | 139 | 2018 |
Similarity Between Amorphous and Crystalline Phases: The Case of TiO2 J Mavračić, FC Mocanu, VL Deringer, G Csányi, SR Elliott The journal of physical chemistry letters 9 (11), 2985-2990, 2018 | 105 | 2018 |
Revealing the intrinsic nature of the mid-gap defects in amorphous Ge2Sb2Te5 K Konstantinou, FC Mocanu, TH Lee, SR Elliott Nature Communications 10 (1), 3065, 2019 | 104 | 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 | 34 | 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 | 31 | 2020 |
Modeling electrical percolation to optimize the electromechanical properties of CNT/polymer composites in highly stretchable fiber strain sensors S Jung, HW Choi, FC Mocanu, DW Shin, MF Chowdhury, SD Han, ... Scientific reports 9 (1), 20376, 2019 | 28 | 2019 |
Multi-Scale Electrolyte Transport Simulations for Lithium Ion Batteries F Hanke, N Modrow, RLC Akkermans, I Korotkin, FC Mocanu, VA Neufeld, ... Journal of The Electrochemical Society 167 (1), 013522, 2020 | 19 | 2020 |
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 | 18 | 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), 2000416, 2021 | 18 | 2021 |
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 |
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 | 14 | 2018 |
Finding defects in glasses through machine learning S Ciarella, D Khomenko, L Berthier, FC Mocanu, DR Reichman, C Scalliet, ... Nature Communications 14 (1), 4229, 2023 | 13 | 2023 |
Microscopic observation of two-level systems in a metallic glass model FC Mocanu, L Berthier, S Ciarella, D Khomenko, DR Reichman, C Scalliet, ... The Journal of Chemical Physics 158 (1), 2023 | 10 | 2023 |
Evolution of local structural motifs in colloidal quantum dot semiconductor nanocrystals leading to nanofaceting B Hou, FC Mocanu, Y Cho, J Lim, J Feng, J Zhang, J Hong, S Pak, ... Nano Letters 23 (6), 2277-2286, 2023 | 6 | 2023 |
The nature of non-phononic excitations in disordered systems W Schirmacher, M Paoluzzi, FC Mocanu, D Khomenko, G Szamel, ... Nature Communications 15 (1), 3107, 2024 | 4 | 2024 |
Robust In-Zn-O Thin-Film Transistors with a Bilayer Heterostructure Design and a Low-Temperature Fabrication Process Using Vacuum and Solution Deposited Layers SY Bang, FC Mocanu, TH Lee, J Yang, S Zhan, SM Jung, DW Shin, ... ACS omega 5 (34), 21593-21601, 2020 | 4 | 2020 |
Electron localization in recrystallized models of the phase-change memory material K Konstantinou, FC Mocanu, J Akola Physical Review B 106 (18), 184103, 2022 | 3 | 2022 |
Elucidation of the Nature of Structural Relaxation in Glassy D-Sorbitol M Krynski, FC Mocanu, SR Elliott The Journal of Physical Chemistry B, 2020 | 2 | 2020 |
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 |
First and second-principles atomistic modelling of Ge-Sb-Te phase-change memory materials FC Mocanu | 1 | 2019 |