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Welcome to Nextmol.

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Accelerate the development of
new materials and chemistry

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NEXTMOL is a software platform for the design of new materials and chemistry

Computational chemistry

Digitalization Digital R&D reduces time-to-market, costs and risk

High-throughput Enable an automated screening of thousands of new candidate molecules

No need to synthesize New molecules are tested on the computer, avoiding the need to go to lab for every new idea



Accuracy Our software is based on the latest scientific developments

Supercomputing NEXTMOL uses High Performance Computing (HPC) to provide its clients the most advanced hardware

Efficency The software integrated into NEXTMOL make efficient use of HPC resources


Cloud computing NEXTMOL runs in the cloud, using scalable resources adapted to the needs of the client

Pay-per-use With NEXTMOL’s flexible subscription model, the clients only pay for what they use

Secure Using the latest standards for data protection



User-friendly Ease-of-use is central to NEXTMOL’s design

Collaborative Our web-based GUI enables sharing between team members 

Workflow catalog Predefined workflows enable non-experts to benefit from atomic scale modeling



Pre-acceleration programs


NEXTMOL provides atomistic modeling and data analysis tools to accelerate the development of new materials and chemistry

Atomistic modeling Our models take into account the individual atoms and allow characterization of materials on the most fundamental level, yielding outstanding accuracy and universal applicability

Workflows NEXTMOL comes with ready-to-use workflows to simplify prediction of complex quantities

Multilevel NEXTMOL incorporates multiple levels of theory (such as Density Functional Theory or classical Molecular Dynamics) to cover a broad range of phenomena

AI Data science and Machine Learning rely on high-quality data, which can be generated  with NEXTMOL

Personalized We offer personalized workflows, consultancy and support to increase the benefits of atomistic modeling and data analytics for our clients



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MediaTIC Building
c/ Roc Boronat 117
08018 Barcelona (Spain)

+34 93 398 15 75