Computer-Aided R&D

Quantistry Lab

Our dynamic cloud-native chemical simulation platform redefines R&D with its holistic computational approach, seamlessly integrating quantum technologies, physics-based simulations, and AI. With customized Use-Case modules and Click & Simulate technology, QuantistryLab advances the optimization, discovery, and design of chemicals and materials.

Use-Case Designer

The core of QuantistryLab is the Use-Case Designer, a powerful tool that allows you to effortlessly choose from more than 100 million molecular and material structures. Design your own simulations and unleash the full potential of QuantistryLab. Generate custom data to train your machine-learning models or explore cutting-edge quantum simulations to enhance your R&D breakthroughs. Drag & Drop, Click & Simulate.

Use-Case Modules: Discover, Predict, Design.

Drawing from decades of computational knowledge and deep scientific expertise, QuantistryLab offers tailored solutions to overcome your specific R&D challenges. Choose our customized Use-Case Modules to run multiscale atomistic simulations, from Quantum to AI.

  • Battery Developer
  • Electrode Screening
  • Property Predictions
  • Electrolyte Screening
  • Electrolyte Stability
  • SEI Simulations
  • Coating Effects
  • Material Optimization
  • Material Design
  • Structure Explorer
  • Defects & Doping
  • Ion Diffusion
  • Conductivity
  • Environmental Effects

Start Simulating Now!

Experience The New Way To R&D. Schedule your free demo now and unleash the full potential of chemical simulations. From Quantum to AI.

Get in touch
  • Experience QuantistryLab in action
  • Choose solutions customized to your R&D needs
  • Drag & Drop, Click & Simulate
❯ http

HTTP/1.1 200 OK
Content-Type: application/json;
Date: 2024-07-20
Server: Quantistry_Lab

  "name": "Spectral Analysis",
  "description": "IR, Raman, NMR, UV/Vis",
  "workflowID": "LxLKm9kSxo5QPOAEw",
  "is_favorite": false,
  "status": "pending",
  "created_at": "2021-11-02T10:02:58",
  "modified_at": "2021-11-02T10:02:58",
  "total_tasks": 6,
  "successful_tasks": 1,
  "metadata": {
    "project": {
      "name": "Analysis",
      "personal": true
    "creator": {
      "first_name": "Tony",
      "last_name": "Stark"


Our publicly documented RESTful API enables smooth integration of QuantistryLab and all its functionalities into your existing system.

Trusted By

Gefördert vom Bundesministerium für Bildung und Forschung