Oliver Beckstein [he/him] @orbeckst.bsky.social Computational biophysicists at Arizona State University; MDAnalysis (@MDAnalysis.bsky.social) developer. Opinions my own.
Research Group: https://becksteinlab.physics.asu.edu/
MDAnalysis: https://www.mdanalysis.org/
Christian Wolf @chriswolfvision.bsky.social Principal Scientist at Naver Labs Europe, Lead of Spatial AI team. AI for Robotics, Computer Vision, Machine Learning. Hobby Cyclist. Austrian in France. https://chriswolfvision.github.io/www/
In Preparation @inprep.bsky.social Semi-autonomous scientific satire. Published at http://inpreparation.substack.com/
ICMLAI_Conference @icmlai-pages.bsky.social Join us at the 4th International Conference on Machine Learning, Artificial Intelligence & Data Science.
May 24-25, 2027 | Berlin, Germany
Website Link: https://artificialintelligence2027.pagesconferences.org/
Email: icmlai2027@pagesconferences.org
Prof. Eliot Jacobson @climatecasino.net Retired professor of mathematics and computer science, casino consultant, author of 4 books: 3 on casino games & 1 poetry book. Now I volunteer, walk a lot & feed local critters.
Climate blog: climatecasino.net
Casino blog: advancedadvantageplay.com
Guillaume Fraux @luthaf.bsky.social 
marcel ⊙ @marceldotsci.bsky.social Trying to build better machine-learning surrogate models for DFT. Postdoc @ COSMO Lab (EPFL) 👨🏻🚀.
https://marcel.science
Margaret Johnson @mejohnson81.bsky.social Associate Professor of Biophysics at Johns Hopkins. Theory, modeling, and computation. Living systems and statistical mechanics. https://sites.krieger.jhu.edu/johnson-lab/
Eric Duncan 🔵 @eduncan911.com Father, IT, Linux, CyberSec, 3DP, IoT, HomeLab, SYSOP, CAD, PCB, RC, Car Builder, Home Remodeling, and local LLM enthusiast.
Maker & guru of all things geek.
You have a #RightToRepair!
Software Architect.
DM or https://signal.me/#u/eduncan.911
Unsloth AI @unsloth.ai Making open-source AI more accessible! 🦥
Github: http://github.com/unslothai/unsloth
David Aerne @meodai.bsky.social Self-employed Design & Interaction Developer at Elastiq Ltd.
Independent researcher exploring color perception, palette tools, and interface design through prototyping.
Enrique Arribas-Garde @garde24.bsky.social Theoretical physicist researching radiofrequency electromagnetic fields and exposure (RF-EMF). Fascinated by magnets since childhood. Físico teórico investigando la exposición a campos electromagnéticos de radiofrecuencia. Amante de los imanes desde niño.
Fiona McMillan @moraigmonkey.bsky.social Personal account but share lots of fantastic work of RSC member networks - views all my own.
Lover of my kids, chemistry, Lego, Scotland and amazing but tiny museums.
Also vocal about autism, dyslexia, dysgraphia, Star Trek and crochet.
Dmytro Mishkin @ducha-aiki.bsky.social Marrying classical CV and Deep Learning. I do things, which work, rather than being novel, but not working.
http://dmytro.ai
Stijn De Baerdemacker @cortogantese.bsky.social The reason why the sky is blue is #quantum. The reason why it is sometimes pink is sunsets. #theochem #xai #qubits #quovadis
Most sunsets observed in #Fredericton 🍁
Zhaoyang Wang @zhaoyangw.bsky.social Researcher | Agentic AI Foundation Models, Bayesian Optimization, Reinforcement Learning, and AutoML. Uni of Birmingham.
Share the latest AI news. https://www.linkedin.com/in/zhaoyang-w-4995b5269/
Open Force Field @openforcefield.org 
COSMO Lab @labcosmo.bsky.social Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning.
Jason Dutton @duttonchemistry.bsky.social Professing chemistry at La Trobe University
Mrs. G @janbellina.bsky.social Old Englishwoman, loves the outdoors/seas, especially my islands. Sad about the planet. Don’t expect cohesive themes; just what’s on my mind.
Michele Ceriotti @micheleceriotti.bsky.social Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.
Adam Kucharski @adamjkucharski.bsky.social Epidemiologist/mathematician. Professor at London School of Hygiene & Tropical Medicine. Author of The Rules of Contagion and The Perfect Bet. Views own.
New book Proof: The Uncertain Science of Certainty available now: proof.kucharski.io
Michael Ekstrand @md.ekstrandom.net Info sci prof @ Drexel, trying to keep the machines (esp. RecSys & IR) from learning bigotry and discrimination. ADHDS9. Usually self-propelled. Opinions those of the Vulcan Science Academy. 🐰x2.
🏡 https://md.ekstrandom.net
🧪 https://inertial.science
Beilstein-Institut @beilstein-institut.bsky.social A charitable foundation supporting the communication and dissemination of information in #chemistry and related disciplines.
We support #OpenScience projects – #DiamondOA publishing, standards, events, cheminformatics
https://www.beilstein-institut.de/en
Daphne Kontogiorgos-Heintz @daphnekh.bsky.social CS PhD student @UW working on ML for nanopore protein sequencing
Science HR @sciencehr.bsky.social A career network featuring science jobs in academia and industry.
Visit our platform at www.science.hr
@l-schaufelberger.bsky.social @l-schaufelberger.bsky.social 
Jordan Shivers @jordanlshivers.bsky.social computational soft matter & biological physics
jordanshivers.github.io
Stephanie Hyland @hylandsl.bsky.social machine learning for health and biology at microsoft research, based in cambridge UK 🌻 🌱
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.
Philip Bulsink 🇨🇦 @philip.bulsink.ca Chemist (analytical/biofuels),
Data Scientist (sports data, R),
Christian (reformed, affirming 🏳️🌈),
Ottawa
He/him
Tim Coulson @timcoulson.bsky.social Author of "A Little History of Everything from the Big Bang to You" published by Penguin MJ 2024
Professor of Zoology, University of Oxford
Ecology, Evolution, Existence, Science
Gully Burns @gulzarooster.bsky.social An immigrant from a small island. I strive to empower truth, be a good father, be a good husband, and be a good human. (AI for Science researcher).
Sandra Gómez @quimicafisica1.bsky.social Assistant Prof at UAM, Spain -- simulating light induced processes. Ethymology fan, foodie, mum, puzzle lover and against academic precarity (FJI, Eurodoc) ʕ·͡ᴥ·ʔ
Kathleen Farley @kafarley.bsky.social Discovery NMR Scientist @Pfizer #PfizerChemistry- Wife, mother, & animal lover. All posts and opinions are my own.
ORCID: 0000-0001-8935-6852
Joe Greener @jgreener64.bsky.social Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology. jgreener64.github.io
小島秀夫 @hideokojima.bsky.kojimaproductions.jp ゲームクリエイター：僕の体の70%は映画でできている
Game Creator: 70% of my body is made of movies.
Jeff Dean @jeffdean.bsky.social Google Chief Scientist, Gemini Lead. Opinions stated here are my own, not those of Google. Gemini, TensorFlow, MapReduce, Bigtable, Spanner, ML things, ...
Jonas Köhler @jonkhler.argmin.xyz web @ https://argmin.xyz
interests: machine learning, ai4science, algorithms, coding
member of technical staff @ https://cusp.ai
past @ MSR, DeepMind, MPI-IS
home @ Heimbach (Gilserberg), Berlin, Europe
born @ 353 ppm
block toxicity
he/him
Atanas G. Atanasov @atanas-g-atanasov.bsky.social Lead Editor: #CRBIOTECH & #ExplorDHT | Chair of Pharmacology at DPU | Prof of IGAB-PAS | Leader: #DHPSP & #INPST | Author of #HealthHacksThatWork
🔗Web: https://digitalpatientsafety.com/atanas-g-atanasov/
Lazar Atanackovic @lazaratan.bsky.social Incoming Assistant Prof, University of Alberta. Research Fellow at Amii. Currently, postdoc fellow the Broad Institute.
Sadjad Arzash @sadjadarzash.bsky.social Postdoc @GeorgiaTech. Previously @SyracuseU and @Penn. PhD @RiceUniversity. Soft matter and biophysics theory
Paul J. Dauenhauer @pauldauenhauer.bsky.social Distinguished Professor | U. of Minnesota | MacArthur Fellow | Director CPEC | Co-founder Sironix, Carba.com, & Lakril Technologies | Advisor ActivatedLLC | ❤️✌🏽🍃♻️ #mspsky
Sam Foley @samuelfoley.com Physics of membranes and self-assembly || Biophysics postdoc at Johns Hopkins || Previously Penn State -> Carnegie Mellon || for I perplex others not because I am clear, but because I am utterly perplexed myself ||
www.samuelfoley.com- B Bálint Máté @balintmate.bsky.social phd student @geneva, ML+physics
https://balintmate.github.io
Jarvist Moore Frost @jarvist.bsky.social To physicists: a chemist. To chemists: a physicist. To mathematicians: an empty set.
RSURF & Lecturer, Imperial College London.
Computational chemist / physicist.
Photovoltaics, batteries, antibacterial peptides; lasers, cryostats, (ML)(Q)MC/MD/TB/DFT.
Alastair Baker @alastairbaker1.bsky.social Welsh Chemical Scientist in #FlowChemisty.
Experimental Officer of MULTIForm Users Facility, part of the NNUF.
Tech-Editor of Nuclear Future Journal.
Chemist by training, Chem’Eng’er through practice. Loves a puns.
linktr.ee/alastairbaker1
Jason Moore @moorejh.bsky.social Chair, Department of Computational Biomedicine at Cedars-Sinai Medical Center in Los Angeles. Director, Center for Artificial AI Research & Education. Agentic AI. Atari enthusiast. Retrocomputing. Maker.
Noel O'Boyle @baoilleach.bsky.social #cheminformatics
Annalena Kofler @annalenakofler.bsky.social PhD Student at MPI-IS working on ML for Gravitational Waves | #MLforPhysics #SBI
https://www.annalenakofler.com
Paul Young @profpaulyoung.bsky.social Passionate about science communication and photography - viruses and how to control them. LCR (Late Career Researcher) 🇦🇺
Kyle Cranmer @kylecranmer.bsky.social Director Data Science Institute @UWMadison, Professor of Physics,
EiC @MLSTjournal. Physics, stats/ML/AI, open science.
Volker Blum @aimsduke.bsky.social Ab initio materials simulations at Duke University. Associate professor, Duke MEMS & Chemistry. https://aims.pratt.duke.edu/ . Opinions my own. Unlike the shirt on the right side of the profile image, which is not my own. The number on the shirt is 10.
Oliver Grant @olivercgrant.bsky.social Research Scientist doing glycomaterial and glycoprotein molecular modeling. I also develop the glyco webtools for https://www.glycam.org
Jean-Philip Piquemal @jppiquem.bsky.social Professor of Theoretical Chemistry @sorbonne-universite.fr & Director @lct-umr7616.bsky.social| Co-Founder & CSO @qubit-pharma.bsky.social (My Views)
https://piquemalresearch.com | https://tinker-hp.org
Thomas Plé @thomasple.bsky.social 
Anouar Benali @anouarb.bsky.social Computational Scientist focused on high accuracy electronic structure methods on HPC (QMC and sCI).
After more than a decade as a Science Lead at Argonne National Laboratory, I now Lead a Research Team at Qubit Pharmaceuticals.
Qubit Pharmaceuticals @qubit-pharma.bsky.social Bringing unparalleled #accuracy and precision to #drugdiscovery and design, using #quantumphysics to develop life-changing treatments for major diseases.
Visit our website: https://www.qubit-pharmaceuticals.com/
Laboratoire de Chimie Théorique @lct-umr7616.bsky.social The Laboratoire de Chimie Théorique (LCT) is a joint
@sorbonne-universite.fr & @cnrs.fr Research Center (UMR 7616) dedicated to Theoretical & Computational Chemistry (Paris, France).
#compchem #compchemsky #chemsky
G. Andrés Cisneros @cisnerosres.bsky.social Professor #compbiophys #compchem @UT_Dallas
QM/MM force fields DNA rep./modif., cancer biomarkers, ionic liquids, #SACNAS, views my own, he/él 🇲🇽🇺🇸
Carine Clavaguéra @carineclavaguera.bsky.social CNRS Researcher - Institut de Chimie Physique - Université Paris-Saclay, France
Élise Duboué-Dijon @elisedd.bsky.social CNRS researcher working at the Laboratoire de Biochimie Théorique (LBT), in the Institut de biologie physico chimique (IBPC) in Paris.
#RNA #Enzymes #compchem #molecularSimulations
Elisa Fadda @elisafadda.bsky.social Associate Professor in the School of Biological Sciences at the University of Southampton, head chef at https://GlycoShape.org, Salem's butler, fucose fanatic #glycotime everyday! She/Her
Jérôme Hénin @jerome-henin.eurosky.social CNRS Research Director - Goal: learn more from molecular simulations.
Laboratoire de Biochimie Théorique (LBT)
Institut de Biologie Physico-Chimique (IBPC)
Paris
see also https://mstdn.science/@jerome_henin
Chengwen Liu @leucinw.bsky.social 
Côme Cattin @comecattin.bsky.social Theoretical Chemistry PhD. Student at Sorbonne Université- S Sriraksha Srinivasan @sriraksha.bsky.social Scientist @qubit-pharma.bsky.social | PhD @labvanni.bsky.social | Molecular modelling | Drug discovery | MD simulations
Matthieu Chavent @matthchavent.bsky.social Multiscale molecular dynamics, molecular visualization, biological membranes, TB, host-pathogen interactions, CNRS researcher, group leader at @cbitoulouse.bsky.social
Matthieu Montes @matthieumontes.bsky.social Professor detached@CNRS/Sorbonne Université, director of CQSB lab UMR7238, ERC and IUF fellow, co-founder@qubit_pharma, structural bioinformatics, Chemoinformatics, molecular visualization
Prof. Natalie Fey @nataliefeynls.bsky.social Professor @BristolChem, gardener, drinker of tea, Labrador executive assistant. Counts in German & swears in English. She/Her. All views my own.
ORCID: 0000-0003-0609-475X
Stéphane Requena @srequena.bsky.social CTO at Genci the 🇫🇷 #HPC agency deploying supercomputers for numerical #simulation, #AI and #quantum computing
@salanne.bsky.social @salanne.bsky.social Physical chemist @Sorbonne, currently at @CNRS@CREATE (Singapore) | executive editor @ACSNano | Working on energy production and storage
H. K. KHARTABIL @khartab.bsky.social 🇫🇷Theoretical & Computational Chemist ⚛️🧪🖥️🧬| #CompChem | #CompBio | #HPC | #ChemSky | #CompChemSky| #University | #Chemistry | #BioChemistry | #ESR | #URCA | #ComESR | #VeilleESR | #VeilleEN
Personal account💻📱
🧐Reposts are reflections, not endorsements🤔
Amanda Randles 🧪⚛️ 👩🔬 @profamandarandles.bsky.social Director of the Duke University Center for Computational and Digital Health Innovation. Professor of Biomedical Engineering. Research in HPC and digital twins for health.
Graeme Smith @graemesmith.bsky.social Theorist in Waterloo. Quantum information, quantum computing, science, parenting. https://gsbsmith.ca
Carolyn Bertozzi @carolynbertozzi.bskyverified.social All views and opinions expressed are my own.
Sorbonne Université @sorbonne-universite.fr 🎓 Compte officiel de Sorbonne Université, université de recherche intensive et pluridisciplinaire en lettres, santé, sciences & ingénierie. Suivez notre actualité recherche !
https://www.sorbonne-universite.fr/
HPC Guru @hpcguru.bsky.social Not a HPC Guru, but I play one on social media
Marcel Swart @marcelswart.bsky.social ▪️P @icreacommunity.bsky.social Prof TheoChem
▪️F @rsc.org
▪️M @acad-euro.bsky.social
▪️E @ica-papers.bsky.social
▪️ORCID: https://orcid.org/0000-0002-8174-8488
▪️🇳🇱 Views my own
▪️Pronouns: he/him/his
▪️Web: @marcelswart.eu
▪️See @spinstatepapers.bsky.social
mixlamalice @mixlamalice.bsky.social Grouillot de l'#ESR jusqu'en 2023, désormais sergent-chef sans carotte ni bâton. A part ça, papa, gastronome, hardos et comique troupier. 
Erik Lindahl @eriklindahl.bsky.social Prof. of Biophysics. KTH, Linköping & Stockholm U. Chair IVA Chapter VII. Director National Academic Infrastructure for Supercomputing in Sweden. AI, HPC & Life Sciences.
Greg Bowman @drgregbowman.bsky.social Scientist. Christ-follower. Prof @UPenn. Director of Folding@home. Legaly blind. Father.
Texas Advanced Computing Center at UT Austin @taccutexas.bsky.social 25 years of #Powering Discoveries. Home to the National Science Foundation Leadership-Class Computing Facility. Learn more: https://tacc.utexas.edu/
Grant Hill @dr-ghill.bsky.social Theoretical chemist. Research interests in optimisation (basis sets) and using AI/ML in sustainable chemistry
Teaching interests in digital chemistry and active learning
Mario Barbatti @mbarbatti.bsky.social Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
Max Bonomi @bonomimax.bsky.social Head of Computational Structural Biology Lab @pasteur.fr. ERC-CoG 2022. Research Director DR2 @cnrs.bsky.social. Founder/developer @plumed.org
Adrian Mulholland @adrianmulholla1.bsky.social Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own.
Marco De Vivo @marcodevivo.bsky.social Lab Head & Associate Director at @IITalk. Exec Editor of JCTC (@ACSPublications). Director http://www.cecamsimul.eu. Co-Founder @IAMABiotech. Passionate about science!
Justin Smith @justinsmith.bsky.social AI for chemistry and materials @ NVIDIA. Views and opinions expressed are my own.
Matthieu Sollogoub @msollogoub.bsky.social Supramolecular organic Chemist, Glycoscientist, Cyclodextrin-lover, molecular machines, encapsulated catalysts, self-assembly
Professor @Sorbonne University, Paris
Alex MacKerell @alexmackerell.bsky.social 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....
Lillian Chong @ltchong.bsky.social Professor @pittchem.bsky.social. Computational biophysicist, leading @westpasoftware.bsky.social development for weighted ensemble rare-event sampling, Amber force field developer.
Marta Filizola @martafilizola.bsky.social Computational biophysicist specialized in GPCRs, beta3 integrins, and other membrane proteins. Professor and Dean at Icahn School of Medicine at Mount Sinai.
Adrien Schahl @aschahl.bsky.social Postdoc in Delemotte group of Scilifelab and KTH. MD of proteins lipids and sugars.
Antonio Monari @antoniomonari.bsky.social Academic liberal European global. Chemist trying to bridge physics and biology. That's what I do I drink and I know things.
The CTM Group @ctm-itodys.bsky.social The Theoretical Chemistry & Modeling Group, Université Paris Cité upcite.bsky.social, ITODYS @itodys.bsky.social, CNRS @cnrs.fr
Simon Guionnière @sguionni.bsky.social Software engineer
Maxime MARIA @maximemaria.bsky.social 
the Piquemal Group @piquemalgroup.bsky.social Theoretical Chemistry research group @lct-umr7616.bsky.social, Sorbonne Université & CNRS| Led by Prof. Piquemal (@jppiquem.bsky.social)|
#compchem #HPC #MachineLearning #quantumcomputing
Website: https://piquemalresearch.com