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Competitive B2 and B33 Nucleation during Solidification of Ni50Zr50 Alloy: Molecular Dynamics Simulation and Classical Nucleation Theory
American Chemical Society | 2019| -
Adaptive Genetic Algorithm for Structure Prediction and Application to Magnetic Materials
Springer Verlag | 2020| -
Cooling rate dependence of structural order in Al90Sm10 metallic glass
American Institute of Physics | 2016| -
Metals on Graphene: Interactions, Growth Morphology, and Thermal Stability
Free accessDOAJ | 2013| -
Gutzwiller Hybrid Quantum-Classical Computing Approach for Correlated Materials
Free accessArXiv | 2020| -
Theoretical prediction of a highly responsive material: Spin fluctuations and superconductivity in FeNiB2 system
American Institute of Physics | 2019| -
First-principles calculation of correlated electron materials based on Gutzwiller wave function beyond Gutzwiller approximation
PaperIOP Institute of Physics | 2019| -
Adaptive variational ground state preparation for spin-1 models on qubit-based architectures
Free accessArXiv | 2023| -
Effects of sub-Tg annealing on Cu64.5Zr35.5 glasses: A molecular dynamics study
American Institute of Physics | 2014| -
Origin of short- and medium-range order in supercooled liquid Ge3Sb2Te6 using ab initio molecular dynamics simulations
Royal Society of Chemistry | 2020| -
Electronic structure and energetics of praseodymium and $\alpha$-plutonium under pressure
Free accessArXiv | 2014| -
Sentiment Analysis Using Multi-Head Attention Capsules With Multi-Channel CNN and Bidirectional GRU
Free accessIEEE | 2021| -
MnO2 nanosheets as a high-efficiency electrocatalyst for H2O2 reduction in alkaline medium
National licenceRoyal Society of Chemistry | 2016| -
Efficient Step-Merged Quantum Imaginary Time Evolution Algorithm for Quantum Chemistry
American Chemical Society | 2020| -
Atomic structure and magnetic properties of Fe1–xCox alloys
National licenceAmerican Institute of Physics | 2012| -
Stabilizing the crystal structures of NaFePO4 with Li substitutions
Royal Society of Chemistry | 2020| -
Benchmark of correlation matrix renormalization method in molecule calculations
PaperIOP Institute of Physics | 2019| -
First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramic
Free accessArXiv | 2019| -
The role of pentagon–heptagon pair defect in carbon nanotube: The center of vacancy reconstruction
National licenceAmerican Institute of Physics | 2010| -
Structure and dynamics of Fe90Si3O7 liquids close to Earth's liquid core conditions
Free accessArXiv | 2023| -
Melting Temperature of Iron Under the Earth's Inner Core Condition from Deep Machine Learning
Free accessArXiv | 2024| -
Magnetocrystalline anisotropy in cobalt based magnets: a choice of correlation parameters and the relativistic effects
PaperIOP Institute of Physics | 2018|
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