Physics-based reaction simulation and machine learning for process chemistry (ReaQt platform)
Ai.Qimia
LausanneNew on Amplifa
About Ai.Qimia
Ai.Qimia is a software and consulting company based in Lausanne that develops the ReaQt platform for process chemistry. The platform connects molecular structures, reaction mechanisms and machine learning: quantum chemical calculations resolve intermediates and transition states, while learned anchors accelerate the mechanism search. Customers receive an interpretable result package with route feasibility, rate-determining steps, selectivity drivers and prioritized experiments. Collaboration begins with a paid pilot project on a concrete reaction bottleneck, followed by laboratory validation; proven workflows are then provided as a software license for repeated use. Target markets are pharma, fine chemicals, and process and synthesis chemistry. The team combines computational chemistry, machine learning and industrial research experience and collaborates with HES-SO and the University of Geneva.
- Site
- Lausanne, Switzerland
- Processes
- Reaction intelligence / physics-based simulation and machine learning for process chemistry, Quantum chemical calculation of intermediates and transition states (reaction mechanisms,, Paid Pilot: mechanism elucidation, prioritization of experiments, laboratory validation plan,, Physics-based reaction simulation (ReaQt), Machine learning for process chemistry, Mechanism elucidation and regioselectivity analysis, Paid pilot projects for workflow validation, Software licensing of validated workflows
- Materials
- ReaQt Platform, Quantum Chemical Calculation, Mechanistic Machine Learning, Paid Pilot, Workflow Licensing
- Industries
- Pharma, Process Chemistry, Fine Chemicals, Synthesis Chemistry, Biotechnology
- 01
Customer defines the reaction bottleneck
- 02
Review of literature and experimental data
- 03
Mechanism and route search (physics simulator)
- 04
ML-supported prioritization of experiments
- 05
Laboratory validation plan
- 06
Software licensing of the workflow
Methods and Processes
ReaQt Platform
Physics-based reaction simulation with machine learning to steer the next laboratory experiment.
Quantum Chemical Calculation
Calculation of intermediates, transition states, activation barriers and selectivity drivers.
Mechanistic Machine Learning
Δ-Learning accelerates energy calculations and prioritizes reaction steps.
Paid Pilot
Mechanism elucidation, experiment prioritization and laboratory validation plan prior to licensing.
Workflow Licensing
Validated workflows are provided as software for repeated use by the customer team.
Locations
Lausanne
CHHeadquarters
Services
Inside the production
Industries
Processes & technical limits
| Processes | Tolerance | Max. part | Weight | Lot size | Materials |
|---|---|---|---|---|---|
| Reaction intelligence / physics-based simulation and machine learning for process chemistryEngineering | – | – | – | – | – |
| Quantum chemical calculation of intermediates and transition states (reaction mechanisms,Engineering | – | – | – | – | – |
| Paid Pilot: mechanism elucidation, prioritization of experiments, laboratory validation plan,Engineering | – | – | – | – | – |
Additional services
History
- 2023
Jules Eggli joined Ai.Qimia as COO.
- 2025
Presentation of the ReaQt module on April 22, 2025.
- 2025
CHF 100,000 FIT Tech Seed loan on September 10, 2025.
- 2025
CHF 20,000 through the Biopôle Investment Programme on October 30, 2025.
- 2026
Participation in Tech Tour AI & Trust Systems in Lausanne (September 23–24, 2026).