B3LYP, MP2, CCSD and 50+ methods. Draw your molecule, configure the calculation, and get publication-ready results in minutes — without installing any software.
No subscription. Pay only for compute time used.
From molecule input to publication-ready results, the full workflow in one place.
Draw structures with our 3D visualizer, paste SMILES strings, or upload XYZ/SDF files. Real-time 3D rendering powered by 3Dmol.js and RDKit.
Jobs run on dedicated IONOS cloud nodes with Psi4 — a research-grade quantum chemistry engine trusted by thousands of labs worldwide.
Final energies, convergence data, vibrational frequencies, NMR shifts — all parsed and displayed alongside the raw Psi4 output for download.
Buy CPU-hour packs starting at $9. Unused credits never expire. Automatic refund if a job uses less than the estimate.
Track all your calculations in one place. Real-time status updates, result summaries, and one-click output downloads from your account.
All data transferred over HTTPS. Calculation inputs and outputs are private to your account. No data sharing with third parties.
Draw with the built-in 3D editor, paste a SMILES string, or type an XYZ block. Supports organic, inorganic, and transition metal complexes.
Choose your method (HF, DFT, MP2, CCSD…), basis set, job type, and optional corrections. Credit cost estimated in real time before you submit.
Get email notification on completion. View energies, frequencies, and convergence details in your dashboard. Download the full Psi4 output file.
From fast semi-empirical to gold-standard CCSD(T), choose the level of accuracy your project demands.
Buy CPU-hour credits upfront. No subscription, no hidden fees. Credits never expire.
Prices in USD. Credits are non-refundable after purchase. Need a custom volume plan? Contact us.
No software to install, no cluster to configure. Sign up, buy credits, and run a calculation in under 5 minutes.
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