• Question: Can software change practises in chemistry

    Asked by anon-256499 to Radha, Krishna, Katherine, Kaamila, Fatma, Danica, binuraj on 9 Jun 2020.
    • Photo: Katherine Haxton

      Katherine Haxton answered on 9 Jun 2020:

      Yes. Part of my PhD research was using computer modelling to understand why a catalyst worked really well to speed up a reaction. We designed part of the software specifically for the catalysts we were studying and were able to explain why we got our results.
      Other things like software that can interpret infrared and NMR data also change things. You still have to check they are right, but they do make things easier.

    • Photo: Krishna Mistry

      Krishna Mistry answered on 9 Jun 2020:

      Yes it definitely can. Software has made many things more efficient, from simple things such as chemistry structure drawing tool to interpreting data from NMR experiments right to automating equipment to so we can work from home or from a safe distance when needed. This makes the work we do easier and allow us to get better results at the end.
      Computer modelling is a key area of chemistry which helps us understand the work we do better and things advance much quicker with it. It is a key skill within our company which we value and are trying to use as much as we can.

    • Photo: Radha Boya

      Radha Boya answered on 9 Jun 2020:

      Computational chemistry, i.e., doing chemistry with computer simulations is being done routinely.
      Although we cannot fully substitute physical reactions with computer one, this method can sometimes serve as a good indicator of the expected results, and hence reduce the trial and error.

      Another development is robotic arms for doing reactions, or software-controlling the mechanical reactions done by robots.

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