Recent News

Website update and code release!

29 Jul 2022

After four years of a stagnent website, I've finally updated the website! Having been through significant changes in group membership, many updates in our research directions/output, not to mention a global pandemic, I thought it was about time! In addition, we've just released our development code, called 'vayesta', which focuses on accurate and improvable approaches to ab initio quantum embedding. This has really been driven by Max, with important contributions from Charlie, Ollie, Alejandro and Basil. Hopefully it will be of wider use - check it out now by looking at our documentation here! Congratulations to all involved!

Stochastic Response Theory

20 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 Review

13 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!