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The density of liquid NaCl and KCl and an estimate of their critical constants together with those of the other alkali halides
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First-principles molecular dynamics modeling of the LiCl–KCl molten salt system
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PANNA: Properties from Artificial Neural Network Architectures
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First-principles molecular dynamics study of ionic structure and transport properties of LiF-NaF-AlF3 molten salt
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First-principles molecular dynamics investigation on KF-NaF-AlF3 molten salt system
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Study of tritium migration in liquid Li2BeF4 with ab initio molecular dynamics
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Molten salts and nuclear energy production
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First-principles molecular dynamics modeling of the molten fluoride salt with Cr solute
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Redox condition in molten salts and solute behavior: A first-principles molecular dynamics study
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Composition-dependent microstructure evolution in liquid MgCl2-KCl: A first-principles molecular dynamics study
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Corrosion in the molten fluoride and chloride salts and materials development for nuclear applications
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The molten salt reactor (MSR) in generation IV: Overview and perspectives
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Concentrated solar power plants: Review and design methodology
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Thermal energy storage systems for concentrated solar power plants
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Dynamic Fluctuation of U 3+ Coordination Structure in the Molten LiCl–KCl Eutectic via First Principles Molecular Dynamics Simulations
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Temperature Dependence of Short and Intermediate Range Order in Molten MgCl 2 and Its Mixture with KCl
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Toward Reliable and Transferable Machine Learning Potentials: Uniform Training by Overcoming Sampling Bias
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Elucidating Ionic Correlations Beyond Simple Charge Alternation in Molten MgCl 2 –KCl Mixtures
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First-Principles Molecular Dynamics Simulations of UCl n –NaCl ( n = 3, 4) Molten Salts
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Structures and Surface Energies of (100) and Octopolar (111) Faces of Halite (NaCl): an Ab initio Quantum-Mechanical and Thermodynamical Study
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ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost
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Thermal conductivity of molten alkali halides from equilibrium molecular dynamics simulations
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Physics of solid and liquid alkali halide surfaces near the melting point
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Thermal conductivity of molten alkali halides: Temperature and density dependence
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Continuous and optimally complete description of chemical environments using Spherical Bessel descriptors
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Molten Salts Data: Diffusion Coefficients in Single and Multi‐Component Salt Systems
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Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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Melting line of aluminum from simulations of coexisting phases
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Density functional theory study of flat and stepped NaCl(001)
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High-dimensional neural-network potentials for multicomponent systems: Applications to zinc oxide
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Implanted neural network potentials: Application to Li-Si alloys
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Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
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Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics
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New Advances in the Study of Local Structure of Molten Binary Salts
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Solubility of Sodium in Sodium Chloride: A Density Functional Theory Molecular Dynamics Study
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