Seeing the Unseen, Understanding the Complex
Quantum Alchemy combines principles from quantum physics and the ancient practice of alchemy.
What is Quantum Alchemy?
Quantum alchemy refers to several related ideas:
- Transforming the properties of particles or materials: Similar to how alchemists sought to transform lead into gold, quantum alchemy aims to manipulate the properties of particles, atoms or materials at the quantum level to create new forms of matter with desired characteristics 1214. This could involve changing the nuclear charges or electron configurations.
- Computational method for predicting molecular properties: Quantum alchemy uses a Taylor series expansion to efficiently approximate and predict properties like binding energies for large numbers of molecules and materials by making small perturbations to a reference system. This accelerates screening of potential catalysts or drug candidates.
- Representation of the chemical space as a quantum superposition: Some propose representing all possible atomic compositions as a linear superposition state, with a “quantum alchemical Hamiltonian” driving the optimization to select the best molecule for a desired property.
- Philosophical connections: There are also philosophical parallels drawn between the aims of ancient alchemy (e.g. transmutation, elixir of life) and modern concepts in quantum physics about the malleability and interconnectedness of reality.
While not literally turning lead into gold, quantum alchemy leverages quantum mechanical principles to transform, optimize or efficiently model matter and chemical systems in novel ways. It combines ideas from physics, chemistry, and the metaphysical quest of the ancient alchemists.
Quantum algorithm for alchemical optimization in material design
