High-throughput screening and data analytics

Including computational materials discovery, database mining and machine learning

Arm processor based High-performance COSMO Conta ... (No replies)

MQS-mark
8 months ago
MQS-mark 8 months ago

At Molecular Quantum Solutions (MQS) we have developed a high performance implementation of the COSMO model running on Arm processors to generate in a energy and cost efficient way COSMO and sigma-profiles data.

See the following blog post: https://blog.mqs.dk/posts/10_cosmo/10_cosmo/

Please let us know if you are interested in testing the container for a two weeks trial to see if it provides valuable data for your use-cases. [email protected]




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Ab initio (from electronic structure) calculation of complex processes in materials