We show how nuclear quantum effects shape the thermal and mechanical behavior of cubic silicon carbide (3C–SiC) under extreme conditions using path-integral Monte Carlo simulations. Our results indicate that quantum fluctuations account for over $80\%$ of vibrational energy at cryogenic temperatures and persist above $800\mathrm{K}$ under pressure. Quantum softening lowers the bulk modulus by up to $6\mathrm{GPa}$ and induces negative thermal expansion at high pressure. Simulations reproduce experimental data within $0.5\%$, demonstrating that path-integral Monte Carlo simulation is a robust tool for modeling covalent materials where classical methods fail.

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• Crystal phenomena
• Pressure effects
• Structural properties
• Energy applications
• Energy materials
• Functional materials
• Smart materials
• First-principles calculations
• Monte Carlo methods
• Path integrals