The Elliott Group

Publications

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  • Currently displaying 61 - 80 of 408 publications
Author(s)
Publication title
Journal Name
Publication year
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
(doi: 10.1088/1361-648X/aae340)
Computational Surface Chemistry of Tetrahedral Amorphous Carbon by Combining Machine Learning and Density Functional Theory
VL Deringer, M A., R Jana, A Aarva, SR Elliott, T Laurila, G Csányi, L Pastewka
Chemistry of Materials
(2018)
30
(doi: 10.1021/acs.chemmater.8b02410)
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
(doi: 10.1103/PhysRevMaterials.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
Journal of Physical Chemistry B
(2018)
122
(doi: 10.1021/acs.jpcb.8b06476)
Ultrafast logic computation using nanostructured Ge-Sb-Te phase-change memory materials
D Loke, J Skelton, W-J Wang, T-H Lee, R Zhao, T-C Chong, S Elliott
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
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
(doi: 10.1080/08927022.2018.1447107)
Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures.
S Fujikake, VL Deringer, TH Lee, M Krynski, SR Elliott, G Csányi
Journal of Chemical Physics
(2018)
148
(doi: 10.1063/1.5016317)
Optical fibre-tip probes for SERS: numerical study for design considerations
T Hutter, SR Elliott, S Mahajan
Opt Express
(2018)
26
(doi: 10.1364/OE.26.015539)
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
J Phys Chem Lett
(2018)
9
(doi: 10.1021/acs.jpclett.8b00902)
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
(doi: 10.1073/pnas.1800638115)
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
(doi: 10.1021/acs.jpclett.8b01067)
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
(doi: 10.1103/PhysRevB.97.184202)
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
(2018)
(doi: 10.48550/arxiv.1803.02802)
Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures
S Fujikake, VL Deringer, TH Lee, M Krynski, SR Elliott, G Csányi
(2018)
(doi: 10.48550/arxiv.1712.04472)
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
(doi: 10.1039/c8cc01388h)
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
(doi: 10.1103/PhysRevB.96.174208)
The Significance of the Amorphous Potential Energy Landscape for Dictating Glassy Dynamics and Driving Solid-State Crystallisation
MT Ruggiero, M Krynski, EO Kissi, J Sibik, D Markl, NY Tan, D Arslanov, W van der Zande, B Redlich, TM Korter, H Grohganz, K Lobmann, T Rades, SR Elliott, JA Zeitler
(2017)
(doi: 10.26434/chemrxiv.5328235.v2)
First-principles simulations of vibrational decay and lifetimes in a-Si:H and a-Si:D
R Atta-Fynn, DA Drabold, SR Elliott, P Biswas
Physical Review B - Condensed Matter and Materials Physics
(2017)
95
(doi: 10.1103/PhysRevB.95.104205)
Morphology and Number Density of Voids in Hydrogenated Amorphous Silicon: AnAb InitioStudy
P Biswas, D Paudel, R Atta-Fynn, DA Drabold, SR Elliott
Physical Review Applied
(2017)
7
(doi: 10.1103/physrevapplied.7.024013)
The Relation between Chemical Bonding and Ultrafast Crystal Growth.
T Lee, SR Elliott
Adv Mater
(2017)
29
(doi: 10.1002/adma.201700814)
Yusuf Hamied Department of Chemistry
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CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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