Next Generation Research Simulations

High-performance cloud infrastructure for quantum chemistry based thermodynamic property prediction.

>> Try out the beta version of the MQS Dashboard

(Terms & Conditions)

>> Learn how to use the MQS Search API


MQS bridges the gap between laboratories and quantum chemistry

Experiments play a fundamental role for the success of R&D pipelines. MQS provides algorithms accessible through a dashboard, an application programming interface (API) or as compiled packages to accelerate your research efforts.

Fully automated quantum chemistry calculations
Access from anywhere & share results with your team
Encrypted & secure data transfer


Retrieve missing property data

Phase equilibria calculations

with quantum chemistry

Reaction and flash calculations

for process design
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Define material structure

with your input and automatically generate similar structures
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Simulate the lattices

with suitable quantum chemistry models
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Receive metrics

to identify promising materials
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Define target properties

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Set constraints

of target properties
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Solve optimisation problem

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Receive final product recipe

with list of candidates and composition of formulation

Partners & Networks

Molecular Quantum Solutions ApS

c/o Alfa Laval Innovation House
Maskinvej 5, 2860 Søborg