Compunetics

Our next webinar is on Modern Kinetic Analysis 21 December 2021 14:00-15:00, United Kingdom rsc.org/events/detail/…

Are you interested in #kinetics analysis that is easy and accessible for organic chemists? Reaction simulation? #MachineLearning guided reaction optimisation? Download a 14-day free trial now! compunetics.net

Are you interested in continuous-flow process optimisation? In-line analysis? The first use of self-optimisation data to fit a kinetic model using Compunetics? Check out this latest paper from Hall et al. #kinetics #chemistry #machinelearning pubs.rsc.org/en/content/art…

See how Compunetics can be easily used to obtain reaction understanding from kinetic parameters available from the chemical literature, to verify our chemical intuitions on what is and isn't possible. #processdevelopment #kinetics #machinelearning compunetics.net/blog/2020-12-0…

Interested in how to perform reaction #simulation easily? See how information from the literature can give process insights into why your yield of paracetamol doesn't exceed 70%! #chemical #kinetics #MachineLearning compunetics.net/blog/2020-11-1…

Check out this recently accepted paper on flow #electrosynthesis - the first publication featuring implementations of Compunetics! #flowchemistry #kinetics #optimisation pubs.rsc.org/en/content/art…

Brilliant work by two excellent professors - congratulations Emmanuelle and Jennifer! #NobelPrize #Chemistry

During these difficult WFH times, few of us are able to be in the lab consistently. This is a big problem for PhD students and postdocs who have theses and papers to write. Why not supplement your work with easily simulated experiments? Learn how at compunetics.net

Reaction #simulation and process optimisation is now accessible to any organic chemist - not just the coders, mathematicians and physical-organic experts. Find out how you can supplement real experimentation in a post-COVID laboratory #MachineLearning compunetics.net/blog/2020-09-1…

No longer is reaction simulation a technique reserved for the kinetic experts - ANY organic chemist can do it EASILY. See how Compunetics can be used to simulate reactions in a post-COVID laboratory, and download for free! #simulation #processdevelopment youtube.com/watch?v=JtZczu…

Have you tried the new Compunetics Investigator yet? Try this groundbreaking optimisation tool to guide your chemical process development, for free! #MachineLearning #processdevelopment #optimisation compunetics.net/blog/2020-08-1…

@vsinha027 @edwinksl @Chemjobber @COSMO_EPFL @ACSPublications @ChemeTUDelft Although not a course, Compunetics provides an applied ML resource for chemistry optimisation that can be applied in research and teaching. Here's how: compunetics.net/blog/2020-08-1…

Are there active courses being taught in AI/ML applied to chemistry/chemical engineering? What would you suggest for such a course (8-12 weeks long) targeted at final year undergraduates? #chemtwitter @Chemjobber @COSMO_EPFL @ACSPublications #ChemEducation @ChemeTUDelft

Interested in process optimisation? See how the groundbreaking new Compunetics Investigator utilises machine learning to guide batch experimentation. No modelling expertise required and free to download. #processdevelopment #optimisation #MachineLearning compunetics.net/blog/2020-08-1…

@DrAlanSteven Looks great! It's always better when the authors choose to include their raw data in the ESI, it really makes it easy to simulate further experiments and further build on their work

S.I. looks well set up for studying with @compunetics linkedin.com/posts/oliver-t…

See how easily you can quantify reaction activity for early process development, even when your catalytic model is ambiguous! compunetics.net/blog/2020-08-0…

Optimise processes remotely, by replacing days of experimentation with fast and easy simulation. compunetics.net/blog/2020-07-2…

@NoelGroupTUE @Carlo_Sambiagio @CreaflowHANU @OPRD_ACS @zhwen_chaser @DengYuchao @g_laudadio @HannesGemoets @tnoel82 @TUe_ST Great read!

Check out our new paper on scaling #TBADT photocatalysis using @CreaflowHANU reactor in @OPRD_ACS. 🔗pubs.acs.org/doi/10.1021/ac… Congrats to all involved @zhwen_chaser, Apoorva, @Carlo_Sambiagio, @DengYuchao, @g_laudadio, Koen, Yuhan, @HannesGemoets and @tnoel82! #FlowChemistry

Substitute experimentation with simulation to gain process understanding and save time and money. See how easy chemical simulation has become with our latest research blog post. compunetics.net/blog/2020-07-0…

See how easily Compunetics can accelerate catalytic process development, alongside improving reaction understanding, in our first research blog post. compunetics.net/blog/2020-06-1…

We're proud to announce our partnership with S-PACT - lots of industrial uptake of #Compunetics is starting to happen. Lots of interesting research is sure to follow! #chemistry #kinetics #spectroscopy