• This calculation involved 600 atoms (largest number ever at such a high resolution) with 1,920 electrons, using about 3,840 processors
• This simulation provides crucial insight into the detonation properties of IHE at high pressures and temperatures.
• Relevant experimental data (e.g., shock wave data) on hydrogen fluoride (HF) are almost nonexistent because of its corrosive nature.
• Quantum-level simulations, like this one, of HF- H2O mixtures can substitute for such experiments.
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