Stochastic Response Theory20 Jun 2018
We have a new paper out in JCTC, detailing a novel stochastic approach to directly calculate response properties of molecular systems in a way that is systematically improvable to the exact solution. (See it here). While solving the Schrodinger equation for the ground state energy is important, experimentalists are generally more interested in the response of a system after you hit it with something - I mean this is what an experiment is after all, right?!
Congratulations to Pradipta Samanta on all his hard work!
Peer Review13 Sep 2017
I'm guessing that not many of you had this in your diaries, but this week is apparently 'Peer Review Week'. While I'm not quite sure as to its point, it makes a good excuse to think a little about this strange system that many of us take for granted. This year was particularly relevant because Nature publishing group got into contact with me as they wanted a few interviews and discussions about peer review - both from an 'author' and a 'reviewer' perspective. It was very interesting thinking about this strange system, and going to their luxury AV studios to film it, and you can see the results here.
First post!06 Sep 2017
So, its been on my ‘to-do’ list for a long time, but finally, we have a website for the group. Hopefully we can keep this up to date and as a record of what we have done, and what we are up to. Hope its useful!