Computational and Quantum Chemistry
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A group dedicated to everything about theoretical and computational/quantum chemistry.
Please, write in English only. Keep on-topic. Be respectful always.
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Good news! Entos Envision is now free for academics!
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Starting today, Entos Envision is free to use for all academic researchers, educators, and students.

Envision is a cloud-based user interface for real-time quantum chemistry. We hope to empower the chemical intuition of all chemists Test tube
#compchem

https://envision.entos.ai
Free Registrations for the II #CompChem at Universidade Federal Fluminense are open. The online event features lectures by prominent scientists and a Workshop by Dr. Julia Contreras-Garcรญa on NCIPlot.
http://compchem.uff.br/
Single-Figure Presentation (SFP) submission for the next Virtual Winter School on Computational Chemistry is now open! The deadline is 30.01.2023. We are looking forward to seeing your work! #compchem #CompChemVirtual
https://winterschool.cc/
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๐ŸŒŸ Exciting News! Join the 10th Virtual Winter School for Computational Chemistry, Jan 29 - Feb 2, 2024. Explore computational and theoretical chemistry with global experts. Featuring top speakers, engaging workshops, and networking for early-career scientists. Free registration! A must-attend for anyone interested in #CompChem. Join us: https://winterschool.cc/ #VWSCC ๐Ÿ“š
๐ŸŒŸ Exciting News! Join the 10th Virtual Winter School for Computational Chemistry, Jan 29 - Feb 2, 2024. Explore computational and theoretical chemistry with global experts. Featuring top speakers, engaging workshops, and networking for early-career scientists. Free registration! A must-attend for anyone interested in #CompChem. Join us: https://winterschool.cc/ #VWSCC ๐Ÿ“š
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The webinar "Modelling antibodies in the post-Alphafold era: where are we now?" is next week on Tuesday 8 April at 15:00 CET

Don't forget to register โžก๏ธ bit.ly/4bYUozP

#antibody #HADDOCK #AlphaFold #proteindesign #compchem
@amjjbonvin.bsky.social
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Funded #PhD with focus on #cheminformatics #DrugDesign at University of Hamburg (Germany) ref: 148 | start: 01-Sep-2025 | duration: 3 years | closing: 27-Jun-2025 #CompChem

https://www.uni-hamburg.de/en/stellenangebote/ausschreibung.html?jobID=8e7216d7ba4ae403a7e544cf677bbe4530821467
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๐Ÿ†• Pre-Register: Living Course on Aitomistic (#AI + Atomistic) #compchem ๐Ÿš€
๐Ÿ“š Self-paced + interactive like webinars
๐Ÿงช Hands-on via Aitomistic Hub
Continuously updated by @pavlodral.bsky.social
Info & signup ๐Ÿ‘‰ https://www.aitomistic.com/en/sub/living-course-on-aitomistic--ai--2b-atomistic--computational-chemistry

#mlchem #aichem #ml
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We're #hiring! ๐Ÿ’ป๐Ÿ’Š
Our @compchem-icr.bsky.social team is seeking to recruit a #postdoc to contribute to breakthrough cancer #drugdiscovery at @icr.ac.uk

๐Ÿ“… Application deadline: 12-September-2025
๐Ÿ“ Centre for Cancer Drug Discovery, Sutton, UK

https://jobs.icr.ac.uk/vacancies/1304/postdoctoral-training-fellow--in-silico-medicinal-chemistry.html

#CADD #compchem #cheminfo
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#Postdoc (2Y) in Marseille:
Exciton transport in bioinspired DNA-templated light-harvesting networks. NEGF, exciton-vibration, decoherence; close link to experiments.

Deadline: 23/1
Start: 27/4
More info: fabienne.michelini @ univ-amu.fr

#QuantumTransport #CompChem
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๐Ÿš€ Tomorrow (08:55 CET) the 2026 Virtual Winter School on Computational Chemistry begins!
๐Ÿงช Five days of free talks, Single-Figure Presentations, round tables, and workshops by #Q-Chem and #GROMACS.
๐Ÿ… SFP submitters and GROMACS workshop participants receive certificates.

#CompChem #VWSCC

https://winterschool.cc/
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Weโ€™re about to kick off!
In just a few minutes (08:55 CET), Dr. Cate Anstรถter officially opens VWSCC 2026 welcoming our first speaker, Dr. Esther Heid, with the talk
โ€œPredictive and Generative Deep Learning Approaches for Chemical Reactions.โ€
The week starts strong - donโ€™t miss it https://winterschool.cc/program/day-1/welcome-to-vwscc26#/
#CompChem
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