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- Currently displaying 41 - 60 of 409 publications
Two-dimensional molybdenum carbides: active electrocatalysts for the nitrogen reduction reaction
Journal of Materials Chemistry A
(2020)
8
23947
(doi: 10.1039/d0ta07039d)
Structural transitions in dense disordered silicon from quantum-accurate ultra-large-scale simulations
(2019)
(doi: 10.48550/arxiv.1912.07344)
Structural evolution of fused silica below the glass-transition temperature revealed by in-situ neutron total scattering
Journal of Non Crystalline Solids
(2019)
528
119760
Hyperuniformity and static structure factor of amorphous silicon in the infinite-wavelength limit
Journal of Physics: Conference Series
(2019)
1252
012003
Revealing the intrinsic nature of the mid-gap defects in amorphous Ge
Nature Communications
(2019)
10
3065
(doi: 10.1038/s41467-019-10980-w)
Mid-IR Evanescent-field Fiber Sensor with Enhanced Sensitivity for Volatile Organic Compounds
RSC Adv
(2019)
9
21186
(doi: 10.1039/c9ra04104d)
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
(2019)
(doi: 10.1063/1.5132962)
Role of carbon-rings in polycrystalline GeSb2Te4 phase-change material
Journal of Alloys and Compounds
(2019)
782
852
Quantifying Chemical Structure and Machine-Learned Atomic Energies in Amorphous and Liquid Silicon
Angew Chem Int Ed Engl
(2019)
58
7057
(doi: 10.1002/anie.201902625)
Quantifying Chemical Structure and Machine‐Learned Atomic Energies in Amorphous and Liquid Silicon
Angewandte Chemie
(2019)
131
7131
(doi: 10.1002/ange.201902625)
Ultrafast Nanoscale Phase-Change Memory Enabled By Single-Pulse Conditioning
ACS Applied Materials & Interfaces
(2018)
10
41855
(doi: 10.1021/acsami.8b16033)
Impedance-based sensor for potassium ions
Analytica chimica acta
(2018)
1034
39
(doi: 10.1016/j.aca.2018.06.044)
Ab initio computer simulations of non-equilibrium radiation-induced cascades in amorphous Ge
Journal of physics. Condensed matter : an Institute of Physics journal
(2018)
30
455401
(doi: 10.1088/1361-648X/aae340)
Computational Surface Chemistry of Tetrahedral Amorphous Carbon by Combining Machine Learning and DFT
Chemistry of Materials
(2018)
30
7438
Information-driven inverse approach to disordered solids: Applications to amorphous silicon
Physical Review Materials
(2018)
2
115602
Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential.
Journal of Physical Chemistry B
(2018)
122
8998
(doi: 10.1021/acs.jpcb.8b06476)
Understanding the thermal properties of amorphous solids using machine-learning-based interatomic potentials
Molecular Simulation
(2018)
44
866
Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures
The Journal of Chemical Physics
(2018)
148
241714
(doi: 10.1063/1.5016317)
Optical Fibre-Tip Probes for SERS: Numerical Study for Design Considerations
Optics Express
(2018)
26
15539
(doi: 10.1364/OE.26.015539)