MS Morph

Efficient modeling tool for organic crystal habit prediction

Materials Science: Morph


Crystal morphology critically affects many aspects of drug formulation and manufacturability. To some extent it can be controlled by a suitable choice of solvent and additives and crystallization conditions, such as temperature and supersaturation. Optimized crystal morphology helps to Increase the efficiency of the filtration process of the active pharmaceutical ingredient (API), improve product purity and tabletability, improve API bioavailability, optimize drying, packaging, handling and storage, and comply with toxicity requirements

MS Morph predicts crystal shape (or habits) for molecular crystals based on the surface energies and Wullf’s theorem. It provides valuable insights for crystal growth mode and powder processing.

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Key Capabilities

Gain valuable insights for crystal growth mode and powder processing

  • Utilize molecular dynamics (MD) simulations for calculation and ranking of surface energies for a custom range of surface Miller indices
  • Predict equilibrium shape of crystallites based on relative surface energies and Wulff’s theorem

Broad applications across materials science research areas

Get more from your ideas by harnessing the power of large-scale chemical exploration and accurate in silico molecular prediction.

Organic Electronics
Metal, Alloys & Ceramics
Complex Formulations
Catalysis & Reactivity

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Training & Resources

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