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Department of Chemistry

 

Publications

Revealing the intrinsic nature of the mid-gap defects in amorphous Ge
K Konstantinou, FC Mocanu, T-H Lee, SR Elliott
– Nature communications
(2019)
10,
3065
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 : an Institute of Physics journal
(2018)
30,
455401
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, SR Elliott
– The Journal of Physical Chemistry B
(2018)
122,
8998
Origin of radiation tolerance in amorphous Ge
K Konstantinou, TH Lee, FC Mocanu, SR Elliott
– Proceedings of the National Academy of Sciences
(2018)
115,
5353
Similarity between Amorphous and Crystalline Phases: The Case of TiO2
J Mavračić, FC Mocanu, VL Deringer, G Csányi, SR Elliott
– Journal of Physical Chemistry Letters
(2018)
9,
2985
Multiscale Electrolyte Transport Simulations for Lithium Ion Batteries
F Hanke, N Modrow, R Akkermans, I Korotkin, F Mocanu, V Neufeld, M Veit
Estimating the thermal conductivity of the glassy phase-change memory material, Ge$_2$Sb$_2$Te$_5$, from non-equilibrium first-principles molecular-dynamics simulations
FC Mocanu, K Konstantinou, SR Elliott
Multiscale Electrolyte Transport Simulations for Lithium Ion Batteries
F Hanke, N Modrow, R Akkermans, I Korotkin, F Mocanu, V Neufeld, M Veit

Research Group

Email address

fcm29@cam.ac.uk