computational models Archives

Improving product quality in pharmaceutical ball milling

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Ball milling is used in the pharmaceutical industry to reduce the size of particulate material such as pharmaceutical granules. Dr Alexander Krok and Dr Sandra Lenihan from Munster Technological University, Ireland, have developed a computational approach to achieve optimal, energy-efficient size reduction in ball milling resulting in the production of high-quality particulate material (i.e. granules) of homogeneous shape and size. […]

Designing catalysts bit by bit

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Prof Johnston and Dr Baletto use computational techniques to design and tailor nanomaterials, focusing on nanoalloys and their catalytic properties.

Catalysis, using reagents to speed up chemical reactions, is big business. From synthesising new chemicals to cleaning up the exhaust fumes from cars and sustainable energy devices such as hydrogen fuel cells, catalysts play a huge role in our daily lives. Prof Roy L. Johnston and Dr Francesca Baletto at the University of Birmingham and King’s College London respectively are using novel computational approaches […]

Computational methods of researching cancer treatments

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In this research article: Dr Haibe-Kains’ research focuses on the computational integration of high dimensional molecular data to analyse multiple facets of carcinogenesis.

Artificial Intelligence (AI) and machine learning algorithms have the potential to bring substantial advances in the fields of research exploring complex diseases and trying to identify effective treatments. Dr Benjamin Haibe-Kains, working at The Princess Margaret Cancer Centre in Toronto, has spent over a decade developing machine learning tools and databases that could help scientists gain a better understanding of […]