Abstract: A method for neural network material state prediction is described. The method includes encoding a sequence and interrelationships among events occurring in a simulation and/or experiment in an event-sourced architecture for materials provenance (ESAMP) framework. The method also includes learning an initial state of a material sample in the ESAMP framework. The method further includes sharing a state vector representing the initial state of the material sample with other material samples in the ESAMP framework. The method also includes learning how one or more processes affect the state of the material sample in the ESAMP framework according to the state vector shared with the other material samples in the ESAMP framework.

Abstract: A system for material discovery includes a processor and a memory communicably coupled to the processor. The memory stores an acquisition module, a machine learning module, a duality transform module, and a convex hull module that include instructions that when executed by the processor cause the processor to select a dataset, train a machine learning model to learn a convex function approximating the dataset in a primal space, duality transform hyperplanes of the learned convex function from the primal space to a dual space, learn a convex hull of the duality transformed convex function hyperplanes in the dual space, duality transform at least one hyperplane of the learned convex hull back to the primal space, and predict, based on the at least one duality transformed hyperplane of the learned convex hull, at least one stable material composition within the material space.

Abstract: A system for predicting an electrochemical figure of merit for a material in contact with a liquid includes a processor and a memory communicably coupled to the processor. The memory stores machine-readable instructions that, when executed by the processor, cause the processor to embed an input dataset in a feature space of a machine learning module. The input dataset includes a material representation with a material composition, electrochemical parameters from a Pourbaix diagram, and chemical species of the material composition in contact with the liquid. The memory also stores machine-readable instructions that, when executed by the processor, cause the processor to predict, based at least in part on the input dataset embedded in the feature space, an electrochemical figure of merit for the material representation exposed to the liquid.

Abstract: A synthesis machine for preparation of a targeted inorganic material for recommended synthesis by a computer program that determines optimal solid-state methods for synthesis of an inorganic material. The computational method involves inputting a target inorganic material, querying structural data and thermodynamic data for the target inorganic material, enumerating possible synthetic reactions to construct a synthetic reaction database with a viable subset of the possible synthetic methods. The routine generates a nucleation metric and competition metric that are combined to provide recommended synthetic methods. The output for each of the recommended syntheses are input into a robotic synthesis machine where the delivery of reactants, reaction conditions, and analysis of extent of reaction, and product quality is controlled by a processor.

Abstract: An oxygen evolution reaction catalyst is a ternary metal oxide that includes Mn and is represented by MnuSbvOw in the rutile crystal phase and MxMnyOz where M is selected from the group consisting of Ca, Ni, Sr, Zn, Mg, Ni, Ba, Co and where u/(u+v) is greater than 33%.

Abstract: A synthesis machine for preparation of a targeted inorganic material for recommended synthesis by a computer program that determines optimal solid-state methods for synthesis of an inorganic material. The computational method involves inputting a target inorganic material, querying structural data and thermodynamic data for the target inorganic material, enumerating possible synthetic reactions to construct a synthetic reaction database with a viable subset of the possible synthetic methods. The routine generates a nucleation metric and competition metric that are combined to provide recommended synthetic methods. The output for each of the recommended syntheses are input into a robotic synthesis machine where the delivery of reactants, reaction conditions, and analysis of extent of reaction, and product quality is controlled by a processor.

Abstract: An oxygen evolution reaction catalyst is a ternary metal oxide that includes Mn and is represented by MnuSbvOw in the rutile crystal phase and MxMnyOz where M is selected from the group consisting of Ca, Ni, Sr, Zn, Mg, Ni, Ba, Co and where u/(u+v) is greater than 33%.

Abstract: Various samples are generated on a substrate. The samples each includes or consists of one or more analytes. In some instances, the samples are generated through the use of gels or through vapor deposition techniques. The samples are used in an instrument for screening large numbers of analytes by locating the samples between a working electrode and a counter electrode assembly. The instrument also includes one or more light sources for illuminating each of the samples. The instrument is configured to measure the photocurrent formed through a sample as a result of the illumination of the sample.

Abstract: An oxygen evolution reaction catalyst is a ternary metal oxide that includes Mn and is represented by MnuSbvOw in the rutile crystal phase and MxMnyOz where M is selected from the group consisting of Ca, Ni, Sr, Zn, Mg, Ni, Ba, Co and where u/(u+v) is greater than 33%.

Abstract: Various samples are generated on a substrate. The samples each includes or consists of one or more analytes. In some instances, the samples are generated through the use of gels or through vapor deposition techniques. The samples are used in an instrument for screening large numbers of analytes by locating the samples between a working electrode and a counter electrode assembly. The instrument also includes one or more light sources for illuminating each of the samples. The instrument is configured to measure the photocurrent formed through a sample as a result of the illumination of the sample.

Abstract: Various samples are generated on a substrate. The samples each includes or consists of one or more analytes. In some instances, the samples are generated through the use of gels or through vapor deposition techniques. The samples are used in an instrument for screening large numbers of analytes by locating the samples between a working electrode and a counter electrode assembly. The instrument also includes one or more light sources for illuminating each of the samples. The instrument is configured to measure the photocurrent formed through a sample as a result of the illumination of the sample.

Abstract: Various samples are generated on a substrate. The samples each includes or consists of one or more analytes. In some instances, the samples are generated through the use of gels or through vapor deposition techniques. The samples are used in an instrument for screening large numbers of analytes by locating the samples between a working electrode and a counter electrode assembly. The instrument also includes one or more light sources for illuminating each of the samples. The instrument is configured to measure the photocurrent formed through a sample as a result of the illumination of the sample.