Entos powers discovery

Our mission at Entos is to combine physics-based machine learning with cloud-based computing to transform the molecular discovery process.

 

Qcore is our highly efficient multi-threaded engine for quantum chemistry, co-developed by the Manby group (Bristol), the Miller group (Caltech), and Entos Inc. 

Entos enables solution-phase simulations to de-risk and accelerate our catalyst design workflow
 

Andre Argenton
VP Core R&D, Dow Chemical

The unique capabilities of Entos Qcore have already enabled new chemical breakthroughs, including optimization of electrochemically stable battery electrolytes with industrial collaborators at Honda (Science, 2018), the discovery of new reactivity and energy-transfer processes in graphene (Science, 2019), and the elucidation of key steps in polyolefin catalysis with industrial collaborators at Dow Chemical.

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Battery electrolytes

Davis, …, Miller, Grubbs, and Jones, Science, 362, 1144 (2018).

Heterogeneous Catalysis

Jiang, Kammler, Ding, Dorenkamp, Manby, Wodtke, Miller, Kandratsenka, Bünermann, Science364, 379 (2019).

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Homogenous Catalysis

Chen, Lawniczak, Ding, Bygrave, Riahi, Manby, Mukhopadhyay, and Miller, J Chem Theory Comp. (2020)

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