Advertorial | Origgio (VA) Italy | 24. April 2024
Nachhaltige Emollients: ein von der Natur und Emotionen inspiriertes Bekenntnis
Emollients sind unverzichtbare Bestandteile kosmetischer Formulierungen und verleihen den fertigen Produkten durch ihre technische Leistungsfähigkeit, Performance und sensorischen Anziehungskraft eine besondere Note. Auf dem Kosmetikmarkt gibt es eine Fülle von...
01. Dezember 2022
Presentation | How Digital Molecular Simulations Will Drive Innovation in Reformulation and Sustainability of Consumer Packaged Goods
SEPAWA® CONGRESS 2022
Speaker: Jeffrey Sanders
Company: Schrödinger
Title: How Digital Molecular Simulations Will Drive Innovation in Reformulation and Sustainability of Consumer Packaged Goods
Abstract: Molecular modeling has historically been viewed as a research tool with little connection back to commercial products. Computational power, expertise, precise knowledge of chemical space, along with mismanaged expectations has limited the impact of molecular modeling in industrial settings until recently. With advances in physics-based simulation methods and machine learning, molecular simulation is quickly becoming routine alongside experimentation. In this talk, the utility of modeling to develop new products, rationalize product (mis)behavior, and understand how modeling can empower researchers to drive innovation will be highlighted. Case studies will be discussed that illustrate how modeling, when correctly applied, can provide novel insight into design and selection of surfactant based formulations and interactions with packaging.