🔥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

Last chance to register for the Manchester Multiscale Conference (deadline 1 March 2023) ccpbiosim.ac.uk/multiscale2023 #ManchesterMultiscale #CompChem #CompBio ccp5 Digital Discovery CECAM (Daresbury Node) ChemShell HECBioSim

🚨 A PhD studentship starting Oct 2023 is available at University College London for a project to study the electronic structure of high temperature superconductors using ChemShell. More details: chemshell.org/phd-supercondu…

On Tuesday 25th April at 1pm (UK time), You Lu from STFC will host an online MMM Hub Software Spotlight seminar showcasing the capabilities of ChemShell. For more details see: thomasyoungcentre.org/event/mmm-hub-… via Thomas Young Centre

On Thursday 27th April, 2pm-5pm, Thomas Young Centre are hosting an inaugural lecture and symposium at UCL Chemistry with several ChemShell-related talks. Speakers: Michael Buehl, Kakali Sen, Xingfan Zhang, Keith Butler and Thomas Keal. More details: thomasyoungcentre.org/event/tyc-inau…

Our PCCP Perspective on QM/MM simulations of catalytic systems with ChemShell is out! 🥳 Featuring an overview of all the latest software developments and a comprehensive survey of recent ChemShell applications work. Free to read at: pubs.rsc.org/en/content/art…

We are now accepting applications for the 2023 CoSeC Impact Award. Open to Masters or PhD students, and early career researchers (in academia, industry or other) with up to 5 years post doctoral experience. The deadline for applications is 21 July ⬇️⬇️⬇️ cvent.me/93BMZL

New methods in ChemShell enable the calculation of QM/MM IR and Raman spectroscopic signatures for molecular and materials systems. Read more: chemshell.org/qmmm-ir-raman/ #ChemShellHighlights

🚨 An open ended position is available to join the group developing ChemShell at Daresbury Laboratory 🚨 For more details visit: chemshell.org/chemshell-vaca…

Very proud and happy to see my second first-author paper published in The Journal of Physical Chemistry C! Many thanks to my co-authors @a_logsdail and supervisor Reinhard Maurer, as well as all the CompSurfChem@Warwick members and the ChemShell team for their support! pubs.acs.org/doi/10.1021/ac…

Bulk and Surface Contributions to Ionisation Potentials of Metal Oxides (Alexey A. Sokol and co-workers) Xingfan UCL Chemistry ChemShell #openaccess onlinelibrary.wiley.com/doi/10.1002/an…

A reminder that applications for this position are accepted until Friday 8th September - act quickly if you are interested!

ChemShell calculations by Shay Chaudhuri, @a_logsdail and Reinhard Maurer have been used to investigate the adsorption of gold atoms on diamond surfaces, showing the potential for QM/MM methods to inform the design of new electrocatalytic materials. More details: chemshell.org/gold-atoms-dia…

Deadline extended: if you'd like to join the team working on QM/MM methods development in ChemShell, you have until Monday 18th September to apply. Don't miss out!

Registration is now open for the Training Week in Sheffield 2-6 September 2024. Register by 2 August! ccpbiosim.ac.uk/training2024 #CompBio ChemShell MDAnalysis @mdanalysis.bsky.social OpenMM

Registration is open for the 6th Manchester Multiscale Conference! Manchester, UK 31 Mar-2 Apr 2025. Check out the speaker list and registration link at: ccpbiosim.ac.uk/multiscale2025 Abstract deadline: 3 Feb 2025 Register by 1 Mar 2025 #Multiscale2025 ccp5 CECAM

We are taking ChemShell training to South Africa in December as part of the CHPC National Conference 2024. Join the Materials Modelling workshop on 1st Dec for an introduction to QM/MM, along with classical and DFT modelling. Details and to register: chpcconf.co.za