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ChemShell

@chemshell.bsky.social

ChemShell is a computational chemistry environment for multiscale QM/MM modelling developed at STFC Daresbury Laboratory and collaborating groups around the world.

70 Followers  |  78 Following  |  2 Posts  |  Joined: 13.11.2024  |  1.5028

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PhD student in UK Catalysis Hub laboratory. © Research Complex at Harwell. Photographer: David Fisher.

PhD student in UK Catalysis Hub laboratory. © Research Complex at Harwell. Photographer: David Fisher.

We are set to launch our third phase, with an investment of £12.5m over 7 years from the Engineering and Physical Sciences Research Council (EPSRC)@ukri.org and £7m committed from other partners, to prioritise and accelerate research into #NetZero and #sustainablechemistry- tinyurl.com/CatHubIII
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03.03.2025 15:44 — 👍 2    🔁 1    💬 1    📌 0

Hi Marwin, thanks for compiling this and could you add our account too please?

25.11.2024 17:16 — 👍 0    🔁 0    💬 0    📌 0

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 modelling, together with classical and DFT sessions.

Details and to register: chpcconf.co.za

18.11.2024 14:27 — 👍 1    🔁 0    💬 0    📌 0

Interested in multiscale #compchem methods and applications?

Check out
www.ccpbiosim.ac.uk/multiscale2025

For conference details/speakers.

From March 31 to April 2, in Manchester, UK.

Registration deadline: February 3rd

13.11.2024 09:12 — 👍 14    🔁 6    💬 0    📌 1

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