Physics-based simulation and machine learning software for a wide range of users, from beginners to experts in computational chemistry.
Schrödinger, Inc. will hold a webinar for materials science on February 19 (Wednesday) titled "Virtual testing of personal care and cosmetics formulations using digital chemistry methods." The development of sustainable products faces many challenges, requiring time, resources, and new raw materials. Predictive modeling is gaining attention to streamline this process. It allows for the identification of promising ingredients and formulations that meet standards, as well as new packaging materials, providing molecular-level understanding through virtual testing using computational methods. Specifically, it enables the analysis of the behavior of individual components, the form of formulations, stability, and interactions with biological surfaces. Additionally, it allows for the exploration of interactions between products and packaging materials, helping to identify factors that significantly affect shelf life. In this seminar, we will demonstrate through case studies how computational chemistry can assist in product development, container design, and analysis during product use. We invite you to join us without hesitation.
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Product Group Desmond: Predicts various material properties such as glass transition temperature, water absorption rate, Young's modulus, refractive index, and dielectric constant using high-speed molecular dynamics (MD) programs. AutoQSAR: Enables the construction and application of machine learning models to easily predict the physical properties of organic molecules through an automated workflow. MS CG LiveDesign: An AI platform for materials informatics. OPLS4: Proprietary high-precision force field parameters. Jaguar: A rich automated quantum mechanics calculation workflow. *For more details, please refer to the PDF document.*
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Schrödinger Co., Ltd. is the Japanese subsidiary of Schrödinger Inc., headquartered in New York, USA. Schrödinger has a history of about 30 years in developing software that integrates advanced technologies in chemistry and computer science, primarily in the fields of materials science and life sciences, providing advanced solutions for drug discovery, biologics, and materials research and development.