Posts Tagged "molecule"

Quantum vs. Classical Computing Methods in Chemical Materials Research & Pathways to a Futuristic World

The quest to develop next-generation chemical materials—from high-efficiency batteries to quantum metamaterials—has intensified the competition between quantum computing and classical computing methodologies. While classical computers have dominated computational chemistry for decades, quantum computers now offer transformative potential for simulating quantum mechanical systems with unparalleled accuracy. This report synthesizes recent advancements in both paradigms, evaluates their comparative strengths, and identifies optimal strategies for accelerating the discovery of futuristic materials.

Simulating hydrogen molecule using qiskit-nature

You can design and simulate a molecular structure using qiskit-nature, which is an extension of Qiskit designed for quantum chemistry applications. Here's how you can set up a quantum simulation of a molecule like h2 using Qiskit Nature

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