Alchemical #free-energy calculations with QM(NN)/MM simulations using our Buffer region #NeuralNetwork (BuRNN) approach!
#compchem #compchemsky #machinelearning
22.01.2025 08:25 — 👍 3 🔁 0 💬 0 📌 0
BioToP stands for "Biomolecular Technology of Proteins" and aims in interdisciplinary training of PhD students.
Super excited that we are able to advertise 12(!) fully funded PhD positions in the field of biomolecular technology of protein interactions.
Check out the exciting projects, spread the word and join BioToP.
#biotechnology #compchem
@bokuvienna.bsky.social @fwf-at.bsky.social
biotop.boku.ac.at
17.01.2025 12:23 — 👍 23 🔁 9 💬 1 📌 2
International Doctoral Program - Biomolecular Technology of Proteins - BOKU University, Vienna
The Living Journal of Computational Molecular Science (LiveCoMS) provides a peer-reviewed home for computational molecular science papers that can and should be updated. https://livecomsjournal.org/
Assistant professor for machine learning, deep learning, and AI for chemistry at TU Wien. Programmer, scientist, and puppy-enthusiast
PhD candidate and TA at Carnegie Mellon. Computational Chemist. Julia/Rust developer in Scientific Computing tools. 🤓 💻🧪⚛️✝️
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
Education @ Schrödinger | Comp Med Chem School Co-Founder and Organizer (compmedchem.org)
PhD student at MPINAT. Microtubules and coarse grained simulations.
🇫🇷Theoretical & Computational Chemist ⚛️🧪🖥️🧬| #CompChem | #CompBio | #HPC | #ChemSky | #CompChemSky| #University | #Chemistry | #BioChemistry | #ESR | #URCA | #ComESR | #VeilleESR | #VeilleEN
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🧪💻 The Virtual Winter School on Computational Chemistry (VWSCC) is a global online event featuring expert lectures, workshops, panels, and research presentations. Perfect for learning & sharing in computational chemistry!
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https://winterschool.cc/
We advance protein science to accelerate research & improve human health | proteininnovation.org
FACCTs is bringing the ORCA quantum chemistry software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
Visit us at www.faccts.de
I hope you smile today 🐈⬛🤍
My links: https://linktr.ee/Purrinink
Assistant Professor at the University of Copenhagen 🇩🇰🇨🇦 - Organometallics - Mechanism - Sustainability - Polymers
Machine Learning, {Org, Med, Comp} Chem, RL/Planning, AI-assisted Scientific Discovery & Creativity, Music. ELLIS Scholar. Team Lead at Microsoft Research AI for Science. 2xDad
Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
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