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
Theoretical Chemist; Group leader at the Wrocław University of Science and Technology; interested in biomolecular (photo)chemistry, photoinduced electron transfer and prebiotic chemistry; avid runner;
https://iam.pwr.edu.pl/people/rafal-szabla
Urgent short communications of outstanding significance from across the chemical sciences. Email: chemcomm-rsc@rsc.org
Published by @rsc.org 🌐 Website: rsc.li/chemcomm-journal
An international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry.
🌐 Website rsc.li/PCCP
Flagship journal for @rsc.org, open access with no publication fee, all topics in chemistry. chemicalscience-rsc@rsc.org
Celebrating our 15th year in 2025! 🌐 Website: rsc.li/chemscience
Scientific Editor of @chemicalscience.rsc.org, the flagship journal of the Royal Society of Chemistry. Diamond open access! | bioinorganic chemist | PhD Stanford University, post-doc University of York | wife, mum, gardener, Christian | she/her
Improving all lives through the transforming power of chemistry
A Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations.
Your friendly companion for explorations across the bottom of the periodic table. For more information check out our website https://diracprogram.org/
The UK Catalysis Hub is a consortia of universities involved in catalysis research. It brings together forty-six universities, fifteen companies, the STFC Harwell science facilities and thirteen international partners.
https://www.ukcatalysishub.co.uk
Computational Chemist @maxplanck.de (MPI KoFo) | Incoming postdoctoral RA @PNNL | Likes to study proteins in silico 🧬👩💻 🇮🇳🇩🇪
Inspiring the future
ucl.ac.uk/chemistry/
http://instagram.com/ucl.chemistry/
CNRS senior research at the Laboratoire de Chimie et Physique Quantiques in Toulouse (France) interested in electronic structure theory & excited states
physical and computational chemist with interest in photochemistry, radiation chemistry and X-ray technologies
**Quantum & Computational Chemistry
#compchem #theochem #DFT 💻🌍💭
**Scientist and Senior Lecturer at University of #Alicante, Spain. 🇪🇸☀️🥘🍤🍊⛵️⛱️
**Editor-in-Chief of Theor. Chem. Acc. (founded in 1962, the oldest journal in our field) Views are my own
Computational chemistry and biophysics. Empirical force fields, CADD, RNA, carbohydrates, and methods developments including SILCS (site identification by ligand competitive saturation, See SilcsBio LLC) and enhanced-sampling GCMC. And I surf....
Computational Chemist. Associate Professor at UCL.
Angewandte Chemie, a journal of the German Chemical Society (@gdch.de), is a leading journal in #chemistry published by Wiley-VCH (@wiley.com) in Weinheim, Germany. https://onlinelibrary.wiley.com/journal/15213773
Materials modeller and writer of spaghetti code.
Advanced molecule editor and visualizer
Currently working towards Avogadro2
https://two.avogadro.cc/
https://discuss.avogadro.cc/
Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop Avogadro + OpenBabel to find new materials for energy applications @Pitt_Chemistry he/him
Scientist & Scuba Diver - I love theoretical physics, sharks, and pygmy seahorses - http://www.instagram.com/clementicecilia - http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi