🔥The 9th Round of Easy Loan, Earn $40 Reward is in progress❗️ ⏰ Promotion Period: January 15th - Feburary 15th, 2025 👉 Register now and check more details at gate.io/campaigns/358

Thank you MGMS and #YMF2021 panel of judges for selecting my poster as a winner! A huge thank you to Syma Khalid and Khalid Lab, and Oxford Nanopore for their continued support 🙏

Hi, everyone. This is my #RSCPoster on DFT study of the influence of substituents and lithium-ion cycling on the redox behavior of organic-based redox materials. #RSCEn, #RSCMat, #RSCPoster2021, #RSCPhys #LatinXchem, #Unical

📢#SOTSEF is here, and the Activity Packs are on the way🚀 Our team have started sending the brand new Activity Packs to the enthusiasts without access to the necessary resources to enjoy our #digital SOTSEF📨 It's not too late to request one! >> sotsef.co.uk/activity_packs #BSW21

The new Jonathan Essex group website is now live! Check it out at essexgroup.soton.ac.uk #compchem

Exciting postdoctoral research opportunity in the group of Prof Chris Skylaris - please see: jobs.soton.ac.uk/Vacancy.aspx?r… #compchem

Become fully informed! Join us for this excellent series AISciNet SotonCompChem Internet of Food Things Network Plus - community

We are including coding in our new digital chemistry degree course and it will be available to those doing ‘straight’ chemistry too. Also our advanced maths class will require the coding module. @UoSChemistry

[ASAP] Machine Learning in QM/MM Molecular Dynamics Simulations of Condensed-Phase Systems ift.tt/39MobN5

Learn to perform QM/MM simulations using #GROMACS and CP2K in our latest course with @PRACE_RI and ARCHER2 HPC Service. Participants will also gain practical experience in running calculations on ARCHER2. Registration is free with limited available spaces. events.prace-ri.eu/event/1204/

We’re starting to prototype infrastructure for challenges where people submit containerized methods (e.g. for LogP predictions) rather than predictions. Anyone interested in helping us test this out, e.g. with the SAMPL8 logP challenge coming? #compchem #logP #SAMPL8

Come work in Soton with the Jon Essex group! Method development and application in biomolecular simulations. Gain access to great supervision and HPC resources

If you attended #ACS2021 but missed my talks, they are both available in the on-demand presentations until 30 April. #compchem #crystalstructureprediction

27th May 2pm (UK time) for the next Cell Envelopes symposium. Free to attend, but registration needed. Speakers Karen Fleming Karen Fleming, Maike Bublitz Maike Bublitz & Steve Matthews. Sponsored by Microbiology Society. Registration details soon. BBS Biophysical Society. Pls RT.

I'm very excited to start this role and join the Chemical Science team as an Associate Editor. I look forward to seeing submissions of your best work in computational methods, materials discovery, machine learning and more!

Excited for our first meeting 'Being #CompChemURG: How Diversity Enriches Us' on June 4th, 2021. Don’t forget to register @ bindingsites.co.uk Now it’s time to meet our speakers. First up is Syma Khalid!

Register 4 #AI4Proteins II - …g-ai4proteins-260521.eventbrite.co.uk Event 3 in #AI3SD-RSC_CICAG series Speakers Chu Wang Peking University SZ & Adrian Mulholland University of Bristol #Proteins #AI #ArtificialIntelligence #MachineLearning #ML Jeremy Frey Nathan Brown Chris Swain Samicat Arctoris @Schrodinger

Happy to announce the Martini online workshop, 1-3 September 2021. Registration is now open ! Learn from the experts about Martini 3.0 and the associated tools (martinize, TS2CG, polyply, titratable Martini, Martini database, ....). For details, see cgmartini.nl

New lab preprint, on enhanced sampling methods for water rearrangements: biorxiv.org/content/10.110… Also connects with work Jonathan Essex just spoke on at #alchemy2021 (though his will be described in a separate paper). #compchem

Congratulations to Jeremy Frey - Head of Computational System Section on becoming a Turing Fellow southampton.ac.uk/blog/sussed-ne… #turinginst