Nextmol combines the
power of atomic scale models
& data-driven science for
Computational Chemistry

Cutting edge digital
technologies for your R&D

Accuracy and universal applicability with individual atoms and characterization of chemicals on the most fundamental level.

Nextmol incorporates multiple levels of theory to cover a broad range of physico-chemical phenomena.

Our Machine Learning algorithms can be trained with your experimental data or with simulation- generated data.

Nextmol uses High Performance Computing to provide its clients the most advanced hardware.

Characterize molecules that have not been synthesized yet
Simulate conditions that are hard to reach experimentally (e.g. high temperature or pressure)
Predict the most promising candidate molecules
Find out the reason-why for any experiment failure at the lab
Understand the relevant chemical space and priorize the experimental work to cover this space
Identify structure-activity relationships