Bettina Keller @bettinagkeller.bsky.social Theoretical and Computational Chemistry, Professor @FU_Berlin
Alister Goodfellow @aligoodfellow.bsky.social Comp chemist - reactivity, catalyst design and molecular graphics. 🏴🇩🇰
PDRA - Uni of Copenhagen | PDRA - Uni of Leeds | PhD - Uni of St Andrews
xiaocui zheng @xiaocuizheng.bsky.social PhD candidate in chemical biology, glycobiology, genetic code expansion
Jannis Born @jannisblrn.bsky.social Research Scientist @IBM - AI for Scientific Discovery! Tech & sports enthusiast
Kyle Cranmer @kylecranmer.bsky.social Director Data Science Institute @UWMadison, Professor of Physics,
EiC @MLSTjournal. Physics, stats/ML/AI, open science.
Daniel Probst @skepteis.bsky.social Computer scientist, Bioinformatician, PhD in Chemistry and Molecular Sciences. Working on the above as an Assistant Prof at WUR. Interested in all the sciences. Materialist. Fan of cats, Punk Rock, and Hockey.
Bart Brouwer @brouwerb.bsky.social Postdoc | Artificial Enzyme Design | Drienovská lab | VU Amsterdam 🇳🇱
Previously: PhD | Roelfes Group | RuG
Ben Blaiszik @benblaiszik.bsky.social Group Leader - AI and data infrastructure for science at
UChicago/Argonne/Globus - UofIllinois alum. materials, chemistry, physics. Opinions are my own.🤖🔬
AiChemist MSCA DN @aichemist.bsky.social AiChemist project https://aichemist.eu is funded by the EU Horizon Europe under the Marie Skłodowska-Curie Grant Agreement No 101120466. #machinelearning #drugdesign #AI #MSCA
Lukhmanul Hakeem K. @lukhmanulhakeemk.bsky.social Computational chemist 🖥️ ⌬👩🏻🔬🧬 | Fifth-year i2 BS-MS Student |
IISER TVM
FACCTs @faccts.de 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
University of Groningen | Rijksuniversiteit Groningen @rug.nl We are the University of Groningen (short: UG) (Dutch: Rijksuniversiteit Groningen, kort: RUG), an open academic community since 1614 🎓 www.rug.nl
Posts in Dutch and English.
Questions? Our chat is open! 📩
NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social Using quantitative, data-driven approaches to make synthetic chemistry more predictable. Phase II CCI #NSFFunded
🌐 https://ccas.nd.edu/
📷 https://www.instagram.com/nsf_ccas/
Cecilia Clementi @cecclementi.bsky.social 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
Lukas Sigmund @lukasmsigmund.bsky.social PostDoc @ AstraZeneca | Computational Chemistry and Machine Learning
Per-Ola Norrby @peonor.bsky.social Chemist, husband, father, singer. Sustainability, catalysis, stereochemistry, predictive modeling. Senior Principal Scientist @astrazeneca.bsky.social Gothenburg. he/him
Kutand Alkım Bayer @kutandalkim.bsky.social IZTECH-Chemistry, I like to be Polymath(learning different subjects), Polygot(interested in the learning different languages) comments and opinions are my own RT≠ is not endorsement (he/him)
Esther Johnston @estherjohnston.bsky.social 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
Chemical Science @chemicalscience.rsc.org Flagship journal for @rsc.org. Open access, all topics in chemistry. chemicalscience-rsc@rsc.org 🌐 Website: rsc.li/chemscience
Digital Discovery @digital-discovery.rsc.org A new #GoldOA journal from @roysocchem.bsky.social, meeting the trend towards greater automation and data-driven scientific techniques head-on. Led by EiC Alan Aspuru-Guzik
🌐 Website: rsc.li/digitaldiscovery-journal Published by @rsc.org
Jimmy 🇩🇰 🇨🇭 @jimmykromann.bsky.social Data Scientist in Pharma. I want to read and post about Cheminformatics, Quantum Chemistry, and Machine Learning.
https://github.com/charnley
Klyne @klyneai.bsky.social Transforming drug discovery with ultra-large screening, AI-powered molecular design, and precise binding energy calculations. Accessible biotech solutions for all 🌟
Got biotech software needs? Contact us: Klyne@klyne.ai —we're here to help!
Marwin Segler @marwinsegler.bsky.social 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
Tyler R. Josephson 藍泰來 (he/him) @atomslab.bsky.social AI & Theory-Oriented Molecular Science. Asst Prof at UMBC, molecular simulations for the environment + automated reasoning for chemical science and engineering. RT≠PV/n
https://atomslab.github.io
Lloyd-Jones/Garcia-Dominguez Research Group @lloydjonesgroup.bsky.social Student run account for the Lloyd-Jones/Garcia-Dominguez Group. Understanding reaction mechanisms 🧪 through reaction monitoring (mainly NMR 🧲) and physical-organic techniques.
Kevin Greenman @kevinpgreenman.bsky.social 🤖 AI for Science 🌟☧ Asst Prof. @CathInstTech |
🎓 Ph.D. @mitcheme.bsky.social ’24 (@rgblabmit.bsky.social) |
💊💻 Ex: @msftresearch.bsky.social & @elilillyandcompany.bsky.social & Chemprop maintainer |
www.kevinpgreenman.com
Grimme Lab @grimmelab.bsky.social Development and application of efficient computational chemistry methods - based @unibonn.bsky.social.
This account is managed by group members of Prof. Stefan Grimme.
Felix Katzenburg @felixkatzenburg.bsky.social PhD Student @GloriusGroup
Organic Chemistry ⚗️, Molecular Machine Learning 💻 and Screening
Clemence Corminboeuf @corminboeuf-lab.bsky.social Head of the Computational Molecular Design Laboratory at @EPFL-chem. Mom of two girls. #comp
@sikaeser.bsky.social @sikaeser.bsky.social Computational Chemistry | Machine Learning | Molecular Modelling
Postdoctoral Fellow at Roche, pRED
Stratingh Institute for Chemistry @stratinghinst.bsky.social Leading chemistry institute in the Netherlands at the University of Groningen
Felix Strieth-Kalthoff @felix-s-k.bsky.social Assistant Professor of Digital Chemistry (@uni-wuppertal.bsky.social) – building digital tools for synthesis and catalysis. Former: U Toronto (Postdoc) | U Münster (PhD) | MIT (Visiting Researcher)
https://fsk-lab.github.io
Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social Chemistry professor at CMU. Connecting chemical sciences with AI #MachineLearning and automated experimentation. #tarheels fan. Care: #design, #photography #Ukraine #cats🐈 Rants are mine
Philippe Schwaller @pschwllr.bsky.social Assistant Professor at EPFL, ML/AI-accelerated Chemistry & Synthesis | Educating the next generation of chemists and leading a fantastic team (https://schwallergroup.github.io) | Previously IBM Research / Uni Bern / Uni Cambridge / EPFL | he/his
Gabe Gomes @gabegomes.bsky.social Research Scientist, X, The Moonshot Factory (fka Google X) | autonomous science designer | Assistant Professor (on leave), Carnegie Mellon University | h(e/im), views my own
Fernanda Duarte @fjduarte.bsky.social Computational Chemist. Associate Professor at the University of Oxford. Organic Chemistry Fellow at Hertford College. 🇨🇱
Gianni De Fabritiis @gdefabritiis.bsky.social ON SABBATICAL. Computer Simulations, Computational Intelligence, AI.
Research professor and CEO https://www.acellera.com.
Scholar: https://scholar.google.com/citations?hl=en&user=-_kX4kMAAAAJ&view_op=list_works&sortby=pubdate
Frank Noe @franknoe.bsky.social Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
Kate Stafford @kastacholamine.bsky.social AI/ML for proteins, small molecules, and everything in between. Scientist @AtomwiseInc. (she/her) 🌈 Previously: UCSF, Columbia, DE Shaw Research, MIT.
Cristina Trujillo @trujillo-group.bsky.social Computational Organic Chemist
@University of Manchester #CompChem 💻 ⚛️ #Catalysis
🇪🇸 → 🇬🇧 | Mum of 3 boys 🤩
Cyclist 🚴♀️ | Yogi 🧘♀️ | Amateur cook
Rock music fan 🎸
🔗 https://trujilloresearchgroup.com/
Matthieu Schapira @mattschap.bsky.social Prof @ U. Toronto - PI @ SGC - CACHE challenges - Computational chemistry- Structural bioinformatics - Biophysics
Bastian Bjerkem Skjelstad @skjelstad.bsky.social Computational chemist at Max Planck Institut für Kohlenforschung. Reaction mechanisms and catalysis
Graeme Day @graemeday.bsky.social Professor, Head of Digital and Data-Driven Chemistry, School of Chemistry and Chemical Engineering at @unisouthampton.bsky.social
Associate Editor at Chemical Science (@roysocchem.bsky.social)
structure prediction, materials discovery
UK-QSAR & Cheminformatics Group @ukqsar.bsky.social We organise two one-day meetings per year in the UK, and always free to register.
The #UKQSAR & #Cheminformatics Group is for scientists interested in approaches to #CompChem #DrugDesign #MedChem #BigData #DataScience #RealTimeChem
https://ukqsar.org
Anat Milo @anatmilo.bsky.social #Chemsky #ML #mechanism #toomanyhashtags
Physical Organic Chemistry in the Negev
Kjell Jorner @valencekjell.com Assistant Professor of Digital Chemistry at @ethzurich.bsky.social. Making chemistry more sustainable within NCCR Catalysis. Views my own.
https://dcl.ethz.ch
https://www.valencekjell.com
Robert Pollice @robpollice.mstdn.science.ap.brid.gy Weekly #RobSelects
Assistant Professor for Computer-Aided Organic Synthesis at the Stratingh Institute for Chemistry, University of Groningen
(he/him/his)
[bridged from https://mstdn.science/@robpollice on the fediverse by https://fed.brid.gy/ ]
Robert Paton @bobbypaton.bsky.social Robert Paton | Fixman-Ladanyi Professor of Chemistry at Colorado State University | #compchem | http://linktr.ee/patonlab | 🇬🇧🇺🇸
Reymond Group @reymondgroup.bsky.social Research Group at DCBP UniBern
#Cheminformatics | #PeptideChemistry | #SmallMolecule | #DrugDiscovery | #OrganicSynthesis
Stefan P. Schmid @spschmid.bsky.social Doctoral Researcher in the Digital Chemistry Laboratory at ETH Zurich | ESOP 2021 Scholar | MSc Chemistry ETH Zurich | Accelerated catalyst discovery with AI
Chris de Graaf @cdg-gpcr.bsky.social Head of Computational Drug Discovery and Data Science at Structure Therapeutics | GPCR | SBDD | CADD | Cheminformatics | Computational Chemistry | Medicinal Chemistry | Drug Design
the Kulik Group @kulikgroup.bsky.social An Inorganic Design, Computational Chemistry, Machine Learning, and Enzyme Catalysis Research Group in Chemical Engineering at MIT.
Led by Prof. Heather J. Kulik
hjkgrp.mit.edu
Paola Gori Giorgi @paolagorigiorgi.bsky.social Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
Jan @dermewes.bsky.social Scientist, chemist, brewer, and dad working on the holy deep-blue grail of #OLED because: "Computers don't invent molecules, humans do!"
Glorius Group @gloriusgroup.bsky.social Team of highly motivated 😍 young chemists👩🔬 trying to make a difference in CATALYSIS ⚗🐱 (and beyond): a green key technology of the future 🌍 based @uni-muenster.de.
Student managed account.
https://www.uni-muenster.de/Chemie.oc/glorius/
Frank Glorius @gloriusfrank.bsky.social Prof. of Organic Chemistry⚗️ CATALYSIS & more (membranes, on-surface-chemistry, batteries, data & machine learning). Passionate 👨🔬😀🇪🇺
Jason Hein @profhein.bsky.social Professor of Chemistry
CTO of Telescope Innovations
Associate Editor for Digital Discoveries
Alán Aspuru-Guzik @aspuru.bsky.social Professor of Chemistry and Computer Science
University of Toronto
Faculty member, Vector Institute
Director, Acceleration Consortium
Senior Director of Quantum Chemistry NVIDIA
My views expressed here are personal and are not those of my employers.
Digital Chemistry Laboratory @dcl-ethz.bsky.social Digital Chemistry Laboratory at @ethzurich.bsky.social
Part of NCCR Catalysis and ETH AI Center
Led by @valencekjell.com
Accelerating chemical discovery with digital tools
Jan H. Jensen @janhjensen.bsky.social Computational chemist at the University of Copenhagen #compchem
Machine Learning in Science @mackelab.bsky.social We build probabilistic #MachineLearning and #AI Tools for scientific discovery, especially in Neuroscience. Probably not posted by @jakhmack.bsky.social.
📍 @ml4science.bsky.social, Tübingen, Germany
Michael Bronstein @mmbronstein.bsky.social DeepMind Professor of AI @Oxford
Scientific Director @Aithyra
Chief Scientist @ProximaBio
ML Lead @ProjectCETI
geometric deep learning, graph neural networks, generative models, molecular design, proteins, bio AI, 🐎 🎶
Andrew White 🐦⬛ @andrew.diffuse.one Head of Sci/cofounder at futurehouse.org. Prof of chem eng at UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast