kanad
A research commons for quantum chemistry.
Build molecules. Run real quantum on IBM, IonQ, BlueQubit, or your laptop. Get answers. No quantum coding required.
“Nature isn't classical, dammit!
- Richard Feynman
and if you want to make
a simulation of nature,
you'd better make it
quantum mechanical.”
Two labs and a studio.
Each one is a real workflow. Open it, do the science, close the tab.
Schrödinger Lab
Ground-state energies. Real VQE. Real hardware.
Build molecules from templates or atom-by-atom, configure a quantum solver, run on a simulator or real hardware, and read out the chemistry that comes back.
- PhysicsVQE, VQE, HardwareVQE, SQD solvers
- Spectra: NMR, IR/Raman, UV-Vis
- Dipole, orbital gaps, thermochemistry
- Drug-likeness (ADME) for medicinal chem
Prigogine Lab
Chemistry that changes in time.
Three studies under one roof - for everything that is not just sitting still in its ground state.
- Molecular Dynamics - classical or quantum forces
- Chemical Reactions - PES scans, barriers, rate constants
- Photodynamics - laser-driven state populations
Workshop Studio
Write your own quantum solver. Publish it.
A VS Code–like editor in your browser. Sandboxed Python environment with 30+ pre-loaded modules. Benchmark against reference molecules, then push to the community library for other researchers to use and build on.
- Custom solvers and ansatze
- Sandboxed Python, 30+ modules
- Reference benchmarks built in
- Publish to community library
Pick a solver. Pick a machine. Get an answer.
Solvers
- PhysicsVQE
- VQESolver
- HardwareVQE
- SQD
Backends
- IBM Quantum
- IonQ
- BlueQubit
- Statevector / Aer
- kanad-compute (local)
Analysis
- Spectra (NMR, IR/Raman, UV-Vis)
- Thermochemistry
- ADME drug-likeness
- Charges & polarizability
Quantum Environment Is All You Need.
RL agents that learn chemistry from real VQE - not force fields, not lookup tables, but the Schrödinger equation itself.
The Paper
Gymnasium environments where every reward is a real VQE computation. Energy-gradient rewards produce genuine learning. 71% to 94% near-equilibrium rate. 5.4× error reduction.
RL Adaptor - Coming Soon
Four Gymnasium-compatible environments. Agents learn equilibrium distances, PES shapes, bonding patterns, and barriers - from real quantum mechanics.
Whoever has a question for nature.
Drug Discovery
Binding affinity, ADME, conformational sampling, HOMO-LUMO gaps.
Materials Science
Electronic structure, catalysts, electrodes, band analysis.
Chemistry Research
Reaction pathways, transition states, thermochemistry, PES scans.
Biochemistry
Active sites, spectroscopy, dipoles, isotope effects.