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- TitleHigh speed development of new chemical synthesis and materials at molecular-level: Methods and approaches
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- Is part ofJournal of Business Chemistry, Issue Journal of Business Chemistry, page 102-113
- Published03/11/2016
- AnnotationSection "Practitioner’s Section"
- LanguageEnglish
- Document typeJournal Article
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Abstract
Recent success of advanced computational chemistry, in example for the prediction of chemical reactivity and materials properties, reflects its reputation as a valuable and widely accepted means to tackle problems in academia. The development of new simulation methods and new computer architectures enables an enormous improvement of the productivity of research and development of new chemical synthesis and materials. These advances can be achieved in terms of less time, material, and staff compared to traditional lab experiments. Especially, approaches like virtual high throughput screenings (vHTS) are highly scalable and allow fast and deep insights into new promising system modifications. Consequently, the time to market and risk of new product development can be decreased significantly. These characteristics paved the way for the successful application in industry nowadays.
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