News

Less may be more: an informed reflection on molecular descriptors for drug design and discovery From great power... This is the very first paper from the SossoGroup! Harry, Steven and Trent have…

Less may be more: an informed reflection on molecular descriptors for drug design and discovery From great power... This is the very first paper from the SossoGroup! Harry, Steven and Trent have…

A PhD Studentship (to start in October 2020) is now available via the HETSYS Centre for Doctoral Training at Warwick Uni. Jointly supervised by myself and Dr. Anders Broo (AstraZeneca plt.), the…

Taking stock and looking ahead. At the very beginning of my PhD (2009, I believe?!) I developed a machine learning potential for the phase change material GeTe. Phase change materials for data…

A pen and paper endeavour! In case you didn't know, we are lucky enough to have in Warwick a world-leading experimentalist working on ice: Prof. Matt Gibson, who has been looking for a while into…

Promoting transparency and reproducibility in enhanced molecular simulations That's one small step... Alright, hold your horses. My contribution to this ginormous (the words you learn from your…

Eventually, it happened! The 6th Computational Molecular Science (a.k.a. CMS) took place just a week ago here at Warwick Uni, featuring five sessions from biomolecular simulations to machine…

A PhD Studentship (to start in October 2019) is now available via the HETSYS Centre for Doctoral Training at Warwick Uni. Jointly supervised by myself and Dr. David Quigley (Warwick Physics), the…

Ice is Born in Low-mobility Regions of Supercooled Liquid Water Dynamics matters! I really am quite proud of this work. It all started - it's a long story, you have time... - somewhere in…

An evening extravaganza... This event is just great - kids (and parents!) all over the place, having a good go at everything thrown at them - from non-Newtonian fluids to diamond. Obviously, I…

In all fairness, I did not realise - earlier in September... - that this public lecture would have been atteneded by about 1000 souls. What I did know is that I would have had to invest some time in…

Time ago we looked at density fluctuations in liquid water, particularly the formation of cavities within the molecular network. Why? Because those are related to the cavitation free energy, which in…

Despite the not exactly sunny day (we did what we could!), spirits are high indeed. Following a few recent additions, the Group can now count on no less than seven members! I am really quite glad...…

My first paper about the crystallization of GeTe is dates back to 2013. Aside for making me feel a bit old, I guess it is quite intriguing to realize that - some 5 years later - we still haven't got…

It's here!!! Gabriele and Reinhard have been organising the (6th!) Computational Molecular Science (CMS for friends) 2019. This scientific meeting will be held in campus (i.e., at the University of…

I am really quite proud of this paper. For one thing, it marks my transition from studying ice forming on inorganic materials to exploring the formation of ice in soft and biological matter.…

It feels good to be a part of something. It feels even better when said something is called "Faces of HPC" - that is, an EPCC initiative to celebrate diversity in the High Performance Computing…

When it comes to enhanced sampling simulations of rare event, one usually choose something along the lines of either free energy or path sampling techniques. Unfortunately, these are computationally…

A fully funded (4-year) PhD Studentship on Machine Learning for Materials Science is now available at SossoGroup, led jointly with James Kermode (Warwick Engineering). The (non-negotiable!) starting…

Gabriele has been invited to take part in a genuinely exciting workshop titled "Artificial Intelligence in Medicines Discovery Workshop" held at the Alderley Park Conference Centre (nice spot...) on…

Research, particularly research which relies on software, thrives on collaboration. This event, which will take place in Manchester at the Museum of Science and Industry on April 24th, will bring…

Pint of Science is a non-profit organisation that brings some of the most brilliant scientists (hey, their words...) to your local pub to discuss their latest research and findings with you. You…

There is no point in petending otherwise: "Machine Learning" is so much hyped it's just not true. However, it turns out these clever (?) algorithms can help us with a number of things. For instance,…

WICS is a conference (organised and run by Warwick ChemSoc) aimed at encouraging sixth formers to explore the sciences. The event ultimately aims to help students decide whether further study in a…

The Science Gala will be an evening extravaganza highlighting inspiring careers and exciting science. Students, teachers, friends, family, everyone is welcome and will find something of interest,…

One of the central quantities in the context of crystal nucleation is the critical nucleus: a bunch of atoms/molecules/particles large just enough for the system to proceed to the growth of the…

This work is about the dreadful things that happen to those (well, basically everyone...) who dare truncating non-bonded terms when performing molecular dynamics simulations of interfaces. It has…

We are currently looking for outstanding candidates to join DImEnsION @ Warwick. A number of opportunities are available in terms of both PhD Studentships and PostDoctoral Fellowships. Have a look at…

On September 28th, Gabriele will head to The Old Smoke (London, that is...), to be precise to the Royal Geographical Society. The occasion? Why, that's where the winners of  The Best Use of ARCHER…

As of September 2017, the Sosso Group – DImEnsION at Warwick comes to life! Headquartered in the rather sleek G Block of the Department of Chemistry, DImEnsION at Warwick aims at furthering our…