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SCM enables researchers to more quickly develop better molecules, materials, and chemical processes. Through advanced computational chemistry and materials modeling software focus on the most promising candidate materials and process conditions for the next generation of batteries, solar cells, catalysts ,and other materials which will drive the energy transition.
Specification Title | Specification Description |
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Modelling
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Computational chemistry, materials modeling, and fluid thermodynamics.
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Machine learning
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Machine learned potentials and QSPR predictive models.
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Collaboration
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Co-created new functionality, e.g. multi-scale catalytic process optimization.
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Prediction
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Molecular, materials, and solvent mixture properties.
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Simulation tools
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Atomistic modeling
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Optimization
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Reduce R&D time and costs through advanced modeling.
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Data Analysis
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Advanced analytics for material properties optimization.
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