GitHub / Dmanuell / Quantum-DFT-Benchmarking
# Quantum-DFT-BenchmarkingThis repository offers DFT calculations that benchmark quantum algorithms, focusing on the thio-Michael addition mechanism in CDK12 inhibitors. Explore our findings and contribute to advancing quantum computing in molecular simulations! 🧬🌌
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PURL: pkg:github/Dmanuell/Quantum-DFT-Benchmarking
Stars: 0
Forks: 0
Open issues: 0
License: None
Language: Shell
Size: 473 KB
Dependencies parsed at: Pending
Created at: 3 months ago
Updated at: 2 months ago
Pushed at: 2 months ago
Last synced at: 2 months ago
Topics: benchmark, computational-chemistry, density-functional-theory, dft, drug-discovery, orca, quantum-chemistry, quantum-computing, vqe