Superalloys & Molecular Quantum Dynamics
Advanced Alloys and Materials Engineered Through Molecular-Level Quantum Simulation
- Built To Order
- Production Ready
Examples include: Hastelloy, Inconel, Waspaloy, Rene alloys, Incoloy, MP98T, TMS alloys, and CMSX single-crystal alloys.
While traditional superalloy design relies on empirical testing and iterative experimentation, quantum simulation allows for atom-level precision in predicting material behavior, accelerating innovation cycles and reducing cost.
Designing and optimizing such materials requires solving highly complex nonequilibrium quantum phenomena involving multiple potential energy surfaces (PESs), particularly during excitation and electron–nuclear interactions.
Molecular quantum dynamics focuses on solving the time-dependent Schrödinger equation (TDSE) to simulate coupled electron-nuclear behavior. However, solving these equations classically is computationally prohibitive for systems with more than a few particles or dimensions.
Automatski’s 300+ Qubit Quantum Simulator overcomes these classical limits, enabling:
- Accurate quantum simulations of superalloy behavior at the molecular level
- Prediction of performance under thermal and mechanical stress
- Exploration of non-adiabatic quantum effects like internal conversion and intersystem crossing
- Real-time dynamics and accelerated material discovery