Realistic Atomistic Structure of Amorphous Silicon from Machine-Learning-Driven Molecular Dynamics.
– The Journal of Physical Chemistry Letters
(2018)
9,
2879
(DOI: 10.1021/acs.jpclett.8b00902)
Origin of radiation tolerance in amorphous Ge2Sb2Te5 phase-change random-access memory material
– Proceedings of the National Academy of Sciences
(2018)
115,
5353
(DOI: 10.1073/pnas.1800638115)
Similarity Between Amorphous and Crystalline Phases: The Case of TiO<sub>2</sub>
– Journal of Physical Chemistry Letters
(2018)
9,
2985
(DOI: 10.1021/acs.jpclett.8b01067)
Small-angle x-ray scattering in amorphous silicon: A computational study
– Physical Review B
(2018)
97,
184202
(DOI: 10.1103/PhysRevB.97.184202)
Towards an atomistic understanding of disordered carbon electrode materials
– Chemical communications (Cambridge, England)
(2018)
54,
5988
(DOI: 10.1039/c8cc01388h)
Structural properties of transition-metal clusters via force-biased Monte Carlo and <i>ab initio</i> calculations: A comparative study
– Physical Review B
(2017)
96,
174208
(DOI: 10.1103/physrevb.96.174208)
The Significance of the Amorphous Potential Energy Landscape for Dictating Glassy Dynamics and Driving Solid-State Crystallisation
(2017)
(DOI: 10.26434/chemrxiv.5328235.v2)
First-principles simulations of vibrational decay and lifetimes in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>a</mml:mi></mml:math>-Si:H and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>a</mml:mi></mml:math>-Si:D
– Physical Review B
(2017)
95,
104205
(DOI: 10.1103/PhysRevB.95.104205)
Morphology and Number Density of Voids in Hydrogenated Amorphous Silicon: An Ab Initio Study
– Physical Review Applied
(2017)
7,
024013
The Relation between Chemical Bonding and Ultrafast Crystal Growth.
– Advanced Materials
(2017)
29,
1700814
(DOI: 10.1002/adma.201700814)
Optical Layout for the Measurement of a Porous Silicon Sensor Array
– Optics Infobase Conference Papers
(2017)
Part F82-CLEO_Europe 2017,
The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation.
– Phys Chem Chem Phys
(2017)
19,
30039
(DOI: 10.1039/c7cp06664c)
Design of a Nanoscale, CMOS-Integrable, Thermal-Guiding Structure for Boolean-Logic and Neuromorphic Computation
– ACS Applied Materials and Interfaces
(2016)
8,
34530
(DOI: 10.1021/acsami.6b10667)
Metadynamical approach to the generation of amorphous structures: The case of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>a</mml:mi></mml:math>-Si:H
– Physical Review B
(2016)
93,
184202
(DOI: 10.1103/physrevb.93.184202)
Estimation of semiconductor-like pigment concentrations in paint mixtures and their differentiation from paint layers using first-derivative reflectance spectra.
– Talanta
(2016)
154,
63
Analytical capability of defocused μ-SORS in the chemical interrogation of thin turbid painted layers
– Applied Spectroscopy
(2016)
70,
156
(DOI: 10.1177/0003702815615345)
Nanoscale structure of microvoids in a-Si:H: a first-principles study.
– Journal of Physics: Condensed Matter
(2015)
27,
435201
Microscopic Mechanism of Doping-Induced Kinetically Constrained Crystallization in Phase-Change Materials.
– Advanced materials (Deerfield Beach, Fla.)
(2015)
27,
5477
(DOI: 10.1002/adma.201502295)
A chemometric study of ageing in lead-based paints.
– Talanta
(2015)
144,
977
Ab Initio Molecular-Dynamics Simulation of Neuromorphic Computing in Phase-Change Memory Materials.
– ACS Applied Materials and Interfaces
(2015)
7,
14223
(DOI: 10.1021/acsami.5b01825)