Accelerated Materials Design
Develop better materials, faster through advanced simulations
Page last modified
Sunday, April 11, 2021 - 19:00
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.
Pro/con
Reduced R&D costs
Shorter development time
Less wasteful experiments
Prioritize most relevant experiments and promising candidate materials
Find novel molecule & material candidates in silico
It will not replace experiments
Certain properties tough to predict through modeling
Specification
Modelling
Computational chemistry, materials modeling, and fluid thermodynamics.
Machine learning
Machine learned potentials and QSPR predictive models.
Collaboration
Co-created new functionality, e.g. multi-scale catalytic process optimization.
Prediction
Molecular, materials, and solvent mixture properties.
Simulation tools
Atomistic modeling
Optimization
Reduce R&D time and costs through advanced modeling.
Data Analysis
Advanced analytics for material properties optimization.
Relative Business Impact
Technology Readiness Level
[8/9]
Development
Technology demonstration
Mature / Proven
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