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Predicting the phase diagram of titanium dioxide with random search and pattern recognition
Free accessArXiv | 2019| -
Calcium peroxide from ambient to high pressures
National licenceRoyal Society of Chemistry | 2015| -
A Density Functional Study of the 13C NMR Chemical Shifts in Fluorinated Single-Walled Carbon Nanotubes
American Chemical Society | 2009| -
Structures and stability of calcium and magnesium carbonates at mantle pressures
Free accessArXiv | 2014| -
Condensed Matter: Electronic Properties, etc. - Nonlocal Pseudopotentials and Magnetic Fields
Online Contents | 2003| -
Accurate First Principles Prediction of 17O NMR Parameters in SiO2: Assignment of the Zeolite Ferrierite Spectrum
American Chemical Society | 2003| -
Ab Initio Quality NMR Parameters in Solid-State Materials Using a High-Dimensional Neural-Network Representation
American Chemical Society | 2016| -
A Density Functional Study of the 13C NMR Chemical Shifts in Functionalized Single-Walled Carbon Nanotubes
American Chemical Society | 2007| -
Ab Initio Study of Phosphorus Anodes for Lithium- and Sodium-Ion Batteries
American Chemical Society | 2016| -
High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential
Free accessAmerican Institute of Physics | 2022| -
High-pressure phase behaviors of titanium dioxide revealed by a $\Delta$-learning potential
Free accessArXiv | 2021| -
Superconducting incommensurate host-guest phases in compressed elemental sulfur
Free accessArXiv | 2021| -
Structure-specific, mode-resolved phonon coherence and specularity at graphene grain boundaries
Free accessArXiv | 2020|
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