SC Conference Series’ Post

View organization page for SC Conference Series, graphic
SC Conference Series

3,425 followers

Computational chemistry is…..just brilliant! It allows us to think about chemistry in a completely different way, and design in-silico experiments to answer questions we could not easily get in a lab. For instance, traditional experiments often allow us to answer questions that begin with ‘What…?’ ‘What happens if I mix A with B? Answer: I make C’. Computational modelling allows us to answer questions that begin with ‘Why…?’ ‘Why don’t I make D? And how can I change the reaction to favour D over C?’. My own career in computational chemistry now spans over 30 years. I started out trying to blend calculated and experimental data together, as while the experimental data was of really high quality, there wasn’t enough of it to tell a complete story. Now my research has diversified to include designing safer energetic materials that are less prone to accidental initiation, and designing molecules that can selectively recycle gold and other metals from waste electronics. Industry is increasingly funding our research. It is just fascinating and hugely rewarding to bring modelling, and new ways of thinking, to problems of real-life importance. I absolutely love that my research lab is a high performance computer! I am Professor Carole A. Morrison, and I have a Personal Chair in Computational Chemistry at the University of Edinburgh. #iamhpc #whm2023

  • No alternative text description for this image
  • No alternative text description for this image
  • No alternative text description for this image

To view or add a comment, sign in

More Relevant Posts

SC Conference Series

3,425 followers

View Profile

Explore topics