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  • Currently displaying 41 - 60 of 401 publications
A first-principles study on the lattice thermal conductivity of irradiated glassy states of the Ge$_2$Sb$_2$Te$_5$ phase-change memory material
FC Mocanu, K Konstantinou, SR Elliott
(2019)
Role of carbon-rings in polycrystalline GeSb2Te4 phase-change material
G Wang, J Zhou, SR Elliott, Z Sun
– Journal of Alloys and Compounds
(2019)
782,
852
Quantifying Chemical Structure and Machine-Learned Atomic Energies in Amorphous and Liquid Silicon
N Bernstein, B Bhattarai, G Csanyi, DA Drabold, SR Elliott, VL Deringer
– Angew Chem Int Ed Engl
(2019)
58,
7057
Quantifying Chemical Structure and Machine‐Learned Atomic Energies in Amorphous and Liquid Silicon
N Bernstein, B Bhattarai, G Csányi, DA Drabold, SR Elliott, VL Deringer
– Angewandte Chemie
(2019)
131,
7131
Ultrafast Nanoscale Phase-Change Memory Enabled By Single-Pulse Conditioning.
DK Loke, JM Skelton, TH Lee, R Zhao, T-C Chong, SR Elliott
– ACS Applied Materials and Interfaces
(2018)
10,
41855
Impedance-based sensor for potassium ions.
C Day, S Søpstad, H Ma, C Jiang, A Nathan, SR Elliott, FE Karet Frankl, T Hutter
– Analytica chimica acta
(2018)
1034,
39
Ab initio computer simulations of non-equilibrium radiation-induced cascades in amorphous Ge2Sb2Te5
K Konstantinou, FC Mocanu, TH Lee, SR Elliott
– J Phys Condens Matter
(2018)
30,
455401
Computational Surface Chemistry of Tetrahedral Amorphous Carbon by Combining Machine Learning and DFT
VL Deringer, MA Caro, R Jana, A Aarva, SR Elliott, T Laurila, G Csányi, L Pastewka
– Chemistry of Materials
(2018)
30,
7438
Information-driven inverse approach to disordered solids: Applications to amorphous silicon
DK Limbu, R Atta-Fynn, DA Drabold, SR Elliott, P Biswas
– Physical Review Materials
(2018)
2,
115602
Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential
FC Mocanu, K Konstantinou, TH Lee, N Bernstein, V Deringer, G Csanyi, S Elliott
– J Phys Chem B
(2018)
122,
8998
Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials
GC Sosso, VL Deringer, SR Elliott, G Csányi
– Molecular Simulation
(2018)
44,
866
Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures.
S Fujikake, VL Deringer, TH Lee, M Krynski, SR Elliott, G Csányi
– J Chem Phys
(2018)
148,
241714
Optical fibre-tip probes for SERS: numerical study for design considerations
T Hutter, SR Elliott, S Mahajan
– Opt Express
(2018)
26,
15539
Realistic Atomistic Structure of Amorphous Silicon from Machine-Learning-Driven Molecular Dynamics.
VL Deringer, N Bernstein, AP Bartók, MJ Cliffe, RN Kerber, LE Marbella, CP Grey, SR Elliott, G Csányi
– The Journal of Physical Chemistry Letters
(2018)
9,
2879
Origin of radiation tolerance in amorphous Ge2Sb2Te5 phase-change random-access memory material
K Konstantinou, TH Lee, FC Mocanu, SR Elliott
– Proc Natl Acad Sci U S A
(2018)
115,
5353
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
(2018)
9,
2985
Small-angle x-ray scattering in amorphous silicon: A computational study
D Paudel, R Atta-Fynn, DA Drabold, SR Elliott, P Biswas
– Physical Review B
(2018)
97,
184202
Towards an atomistic understanding of disordered carbon electrode materials.
VL Deringer, C Merlet, Y Hu, TH Lee, JA Kattirtzi, O Pecher, G Csányi, SR Elliott, CP Grey
– Chemical Communications
(2018)
54,
5988
Structural properties of transition-metal clusters via force-biased Monte Carlo and ab initio calculations: A comparative study
DK Limbu, R Atta-Fynn, DA Drabold, SR Elliott, P Biswas
– Physical Review B
(2017)
96,
174208
First-principles simulations of vibrational decay and lifetimes ina-Si:H anda-Si:D
R Atta-Fynn, DA Drabold, SR Elliott, P Biswas
– Physical Review B
(2017)
95,
104205