November 22, 2019
Paper accepted | Journal of Physics D: Applied Physics
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…
November 8, 2019
Paper accepted | Molecular Systems Design & Engineering
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…
November 8, 2019
PhD Studentship now available! It’s all in the Structure: Transforming drug design by bringing together molecular simulations and machine learning
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…
November 1, 2019
Paper Published | MRS Bulletin
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…
November 1, 2019
Paper Published | ACS Macro Letters
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…
July 31, 2019
Paper accepted | Nature Methods
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…
April 4, 2019
CMS 2019 – What a blast!
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…
February 5, 2019
PhD Studentship now available! A Game of Order Parameters – Calculating the Uncertainty of Crystal Nucleation Rates
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…
January 31, 2019
Paper accepted | PNAS
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…
January 31, 2019
Science Gala 2019
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…
December 20, 2018
Xmas Lecture 2018
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…
December 15, 2018
Paper accepted | The Journal of Chemical Physics
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…
December 1, 2018
Group’s getting bigger!
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...…
November 15, 2018
Paper accepted | Faraday Discussions
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…
October 21, 2018
CMS 2019 – It’s here!!!
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…
August 29, 2018
Paper accepted | Chemical Science
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.…
August 20, 2018
Faces of HPC
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…
June 28, 2018
Paper accepted | The Journal of Chemical Physics
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…
June 21, 2018
PhD Studentship on Machine Learning for Materials Science now available! Make your Move!
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…
May 17, 2018
Artificial Intelligence in Medicines Discovery Workshop
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…
April 22, 2018
Workshop: Impact of International Research Software Collaboration
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…
April 10, 2018
Pint of Science 2018
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…
March 14, 2018
Paper accepted | Molecular Simulation
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,…
March 10, 2018
WICS Conference 2018
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…
January 20, 2018
Warwick Science Gala 2018
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,…
January 17, 2018
Paper accepted | Nature Communication
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…
October 30, 2017
Paper accepted | The Journal of Chemical Physics
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…
October 1, 2017
Join DImEnsION @ Warwick – PhD Studentships and PostDoctoral Fellowships available
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…
September 27, 2017
Fancy a dinner?
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…
September 22, 2017
… and off they go!
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…