Built on Origin Quantum's homegrown QPanda quantum software development kit, ChemiQ taps into the natural advantages of quantum superposition and entanglement. It uses real or simulated quantum computers to do some pretty heavy lifting—like calculating molecular energy and structure, simulating chemical reactions, mapping out potential energy curves, and tracking dynamic trajectories.
Down the road, this tech has game-changing potential for speeding up chemical synthesis, drug discovery, material design, and energy development. We offer two ways to jump in: the ChemiQ client and the pychemiq framework. Use one or combine both—either way, you get serious flexibility and room to customize. Your lab, your rules.
Linear、cyclic、stereo molecular construction with full element & bond type support · Bond breaking、formation, molecular translation/rotation · File I/O compatibility with mainstream formats
Expectation measurement optimization methods including Pauli-grouping and Shadow tomography · Classical computational chemistry methods: MP2 and CCSD calculations · 600+ Gaussian-type basis sets with custom basis set implementation · Active space selection and frozen orbital configuration
Execution modes: Real quantum device / HPC cluster / Custom deployment · Potential energy surface scanning (bond/angle/dihedral) · Single-point energy calculation · Molecular dynamics simulation
Full-stack configuration & visualization with real-time interaction · English UI with video tutorials & manuals · Cross-platform file compatibility (JSON/HDF5 formats)
