Thomas Froitzheim @thfroitzheim.bsky.social Theoretical chemist in the @grimmelab.bsky.social working on semiempirical methods and excited states
CECAM @cecamevents.bsky.social Promoting fundamental research on advanced computational methods
Paola Gori Giorgi @paolagorigiorgi.bsky.social Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
Umberto Raucci @uraucci.bsky.social Postdoctoral fellow in theoretical and computational chemistry at IIT # machine learning for catalysis, excited state dynamics, enhanced sampling, augmented reality# Post Doc in Parrinello's Group and Martinez lab
Glenn K. Lockwood @glennklockwood.com I am a supercomputing enthusiast, but I usually don't know what I'm talking about. I post about large-scale infrastructure for #HPC and #AI.
Jorge Bravo Abad @bravo-abad.bsky.social AI/ML for Science & DeepTech | PI of the AI for Materials Lab | Prof. of Physics at UAM. https://bravoabad.substack.com/
Avogadro Project @avogadro.cc Advanced molecule editor and visualizer
Building the next generation of molecular and materials visualization and editing tools
https://avogadro.cc/
https://discuss.avogadro.cc/
Barca group at UMelb @exess-gbarca.bsky.social This is the BlueSky account for the Extreme-scale Electronic Structure System (EXESS) quantum chemistry software and the Barca group at the University of Melbourne.
Account is run by Jorge.
Victor Mateevitsi @vmateevitsi.com Assistant Computer Scientist at Argonne National Laboratory. Adjunct Research Professor at UIC.
Research interests: HPC, Raytracing, Rendering, Computer Graphics, AR/VR/XR, Digital Twins.
Ex Greek National Team Ice Hockey Player
Patrick @qmechanic.bsky.social Quantum computing enthusiast. Technology affine. Father of 4
Olli-Pekka Lehto @opele.bsky.social HPC, large-scale data engineering, rants etc.
HPC Ninja @hpcninja.bsky.social “I know that I know nothing.” - talks about HPC, AI, Compute, Semiconductors
Ian Colle @ircolle.bsky.social GM - AWS HPC, говорю по-русский, Navy Vet, Running Coach, Rowing Wannabe, Recovering Philosophy Professor, Husband/Father. UIUC, DU, DenSem, MIT.
INSPIRE HEP @inspirehep.net INSPIRE - the information management system for High Energy Physics https://inspirehep.net
Guillem Simeon @guillemsimeon.bsky.social AI scientist @ Mistral AI. AI for science.
Paris 🏳️🌈
Microsoft Tech Community @mscommunity.bsky.social Home of the Microsoft Tech Community and its friends. Posts about events, content from great creators and experts, inside and outside of Microsoft about our products. 
OpenMP ARB @openmp-arb.bsky.social The OpenMP Architecture Review Board's mission is to standardize directive-based multi-language high-level parallelism that is performant, productive and portable.
Jorge Luis Gálvez Vallejo @jorgegalvez.bsky.social HPC Specialist at the National Computational Infrastructure
Computational chemist by training, high performance computing by accident.
Warhammer 40k, Magic the Gathering, Science Fiction, and Latin American Literature aficionado.
hpc.social on BlueSky @hpc.social Expanding the HPC.social community to new and bluer skies! See our open-source community projects including jobs board and links to other media such as Slack, Discord, and Mastodon at https://hpc.social to introduce yourself, learn more, and get involved!
Dan Ernst @ernstdj.bsky.social HPC Architecture Ronin, currently at Nvidia. ex-MSFT, but forever a Crayon.
I am proud of my home state (MN) and you will hear about it.
All posts (especially the dumb ones) reflect my own positions and not that of my employer.
Almog Segal @almogsegal.bsky.social HPC Libraries @NVIDIA. Opinions are my own.
Karl Podesta @karlpodesta.bsky.social HPC (& Linux! & Cloud!) enthusiast @ #Microsoft. Software Engineer for Azure HPC. All about #AI now tho, amirite? Irish! Dubliner! Exclamation marks!
Jeff Layton @jefflayton.bsky.social I'm just Jeff. Cluster monkey, past military officer and professor. #HPC and Lots of other Things. I work at NVIDIA but have worked other places (it's a long list). Opinions and re-posts are my own.
"Next to Last"
George Markomanolis @gmarkoma.bsky.social #HPC @ AMD
Matt Vaughn @yakshavers.social Product Manager, HPC at AWS // Allergic to Jargon Monoxide // Opinions mine alone
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/
FCLC (being a silly goose) @fclc.bsky.social HPC, BLAS, I make things FAST
Standing on the shoulders of giants
TLDR; 🇨🇦🐧🧑🏼💻🚴🏎️🧗🏼 💩posting.
Haver of opinions that are all my own.
I mainly do #HPC #BLAS #AI #RVV and #clusters
Proud French Canadian, you’ll hear about it
(I help with HPC.social)
HPC Engineering @ AWS @techhpc.bsky.social We're the HPC Engineering team from AWS, and we publish stuff about running R&D workloads in the cloud. Follow us here, and on YouTube (hpc.news/techshorts), too.
HPC Guru @hpcguru.bsky.social Not a HPC Guru, but I play one on social media
Andrew Jones (hpcnotes) @hpcnotes.bsky.social 25+ years using + researching + buying + architecting #supercomputing
Now engineering leader for future #AI infrastructure + #HPC capabilities at Microsoft
Posts about #supercomputers #AI #technology #F1 #LFC #aviation #travel …
https://www.hpcnotes.com
@acscomp.bsky.social @acscomp.bsky.social 
The International Sciences Institute @isi.institute The International Sciences Institute (ISI) is an independent pursuit of research and discovery focused on Earth and Space. Learn more at isi.institute.
Mario Barbatti @mbarbatti.bsky.social Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
Stu Cantrill @stuartcantrill.com Husband, Dad, PhD, pedant, former Chief Ed of @natchem.nature.com, now Editorial Director at @NaturePortfolio.nature.com. Wine, chemistry, publishing, words & snark. Views ranty, but all mine. #ContaminatedBlood victim (affected). He/Him
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
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
FX Coudert @nanoporous.net Senior researcher @CNRS, computational chemist. Professor @ENS_ULM @PSL_Univ. First responder & instructor @CroixRouge. (Opinions are my own.)
Per-Ola Norrby @peonor.bsky.social Chemist, husband, father, singer. Sustainability, catalysis, stereochemistry, predictive modeling. Senior Principal Scientist @astrazeneca.bsky.social Gothenburg. he/him
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
<Matteo | Cavalleri> <He | Him | Dr> @physicsteo.bsky.social The twitter-er formerly known as @physicsteo. | Recovered Quantum Mechanic, now editing the machines that do the physics.| Brooklynite from 🇮🇹 via 🇪🇸, 🇸🇪 & 🇩🇪. | EiC @Wiley.
Portfolios: http://matteo.cavalleri.eu & https://akanaba.org/teowaits
Ellis Crawford @elliscrawford.bsky.social Scientific Editor, RSC. Views my own.
Background in computational chemistry and education.
Sci-fi, blackgaze, queer horror books, MMOs
Caroline Lynn Kamerlin ☀️ @lynnkamerlin.bsky.social Professor, Georgia Tech Chemistry and Biochemistry. Georgia Research Alliance Eminent Scholar. Senior Editor, Protein Science, Editor-in-Chief, Electronic Structure. Pianist, photographer, foodie, dreamer, mom. She/they. #FirstGen #MENA All views my own.
Martijn Zwijnenburg @zwijcompchem.bsky.social Engineer pretending to be a Computational Chemist working on how light and stuff interact at University College London - husband of @jelfschem.bsky.social - all views are my own 🇳🇱🇪🇺🇬🇧
Christoph Dellago @chhdellago.bsky.social Physicist, professor @univie.ac.at, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. 🇪🇺
Ariane Nunes Alves @anunesalves.bsky.social Computational Biochemist (ligand binding kinetics, crowding)
Lead Researcher at the Brazilian Center for Research in Energy and Materials
Associate Editor at the Journal of Chemical Information and Modeling
Brazilian in Germany
Christoph Jacob @christophjacob.eu Professor for Theoretical Chemistry at TU Braunschweig
http://www.christophjacob.eu
Daniel Frankel @cyberplasm.bsky.social Scientist and engineer. Interested in understanding complex biological systems. Still very interested in the naked mole-rat and ion channels. Recently ex academic. Working in a synthetic biology start up. Loves thermodynamics.
Jan H. Jensen @janhjensen.bsky.social Computational chemist at the University of Copenhagen #compchem
Leticia González @letigonzalez.bsky.social 🇪🇸
Chemist • Professor at University of Vienna • Theoretical chemistry, quantum chemistry, excited-state dynamics •
Home of SHARC 🦈
Senior Editor of ACS Central Science •
Board of Directors, Cluster of Excellence MECS ☀️
She/her/wife/Mom of 2
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 🇲🇽🇺🇸
Adrian Roitberg @adrianroitberg.bsky.social Tries to pass as a computational chemist. Bostero fanatic. He/Him. Comments are my own and do not reflect my institution.
Francesco Turci @fturci.bsky.social Lecturer in Physics, University of Bristol (UK) 
<Joaquin | Barroso> @joaquinbarroso.bsky.social CompChemist. Baseball fanatic. Casual cyclist. Dad. #CompChem -> https://joaquinbarroso.com
Ganna (Anya) Gryn’ova 🇺🇦 @grynova.bsky.social Associate Professor of Computational Chemistry, University of Birmingham
https://www.grynova-ccc.org/
views my own
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 🍁
Emilio Martinez-Nunez @emiliomart.bsky.social Professor of Physical Chemistry
Computational and Theoretical Chemist
https://github.com/emartineznunez/AutoMeKin
Tim Gould @timgouldsci.bsky.social @timgould_scienc on twitter
Rachel Crespo Otero @rcrespootero.bsky.social Computational Chemist. Associate Professor at UCL. Associate Editor for the Journal of Materials Chemistry C and Materials Advances (RSC).
Miranda-Quintana group @groupquintana.bsky.social RamO(N) Miranda Quintana
Theoretical and Computational chemistry
https://quintana.chem.ufl.edu/
#chemsky #compchemsky
Karel "CaCO3" Berka @krapnik.bsky.social theoretical physical chemist, molecular modeller and chem- and bioinformatician - #AlphaFoldology enthusiast
Palacky University Olomouc, ORCID:0000-0001-9472-2589 #boardgamegeek (tweets my own) #ELIXIRCZ
Dan Gezelter @gezelter.bsky.social Thinks about chemical education, theoretical chemistry, open science, molecular dynamics, and ice. The first “Dr. Who” for the Jmol team, Bagpiper, Dad. Chemistry Professor & Department Chair @ University of Notre Dame. Posts are my own.
Pierpaolo Morgante (He/His) @piermorgante.bsky.social Content development editor @rsc.org focusing on North America. Theoretical chemist. LEGO fan. #DFT #compchem #chemistry #DogsofCompChem #Quantum
Proud member of #ChemSky
Personal+work account (all views my own)
📍Washington, DC metro area
Frank 🎃hex🎃 Vázquez @fxvzquez.bsky.social Theorist, usually chemistry.
Assoc. Prof @StJohnsU Chemistry.
Pronouns: he/him/él
Mexican American. 🇲🇽🇺🇸
Michael Fischer @zeolitemifi.bsky.social Scientist working at the University of Bremen (Faculty of Geosciences)
#mineralogy #crystallography
#zeolites #compchem #adsorption
Cole Group @colegroupncl.bsky.social We are a computational research group at Newcastle University led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology https://blogs.ncl.ac.uk/danielcole/
Alice R. Walker @arwalker.bsky.social Associate professor of computational chemistry at Wayne State University (Detroit). Computational simulations of fluorescent biomolecules. PhD@Cisneros, PD@Martinez #bifurious
Lars Bock @larsvbock.bsky.social Theoretical and computational physicist working on ribosomes and antibiotics - atomistic simulations, statistical physics and ML. Project leader at the MPI for Multidisciplinary Sciences
https://t.co/1ecLGaOjXB 🚴
Janine George @molecularxtal.bsky.social Computational Chemist. 🦀🐍 Scientist at BAM
+ Professor FSU Jena. Only private opinions here.
Last name: German pronunciation. 🏳️🌈 she/they (sie).
@JaGeo on github
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Kim Jelfs @jelfschem.bsky.social Professor in Computational Materials Chemistry at Imperial College (she/her).
Fred Pontes @serestranho.bsky.social Ich habe nichts zu sagen!
Postdoc at University of Leeds #computationalchemistry particularly interested in #molecularmodelling, #ionchannels and #antimicrobialresistance #nanopores
queer (he/him) 
Robert M @rmcgibbo.bsky.social Work: GPUs go brrr
Life: with @linmeneguin in Brooklyn
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....
Roland Dunbrack 🏳️🌈 @rolanddunbrack.bsky.social Computational structural biologist. Gay, out & proud since 1986. I support transgender & nonbinary people. Video about my LGBTQ+ life in science: https://tinyurl.com/45srzjdw. Views my own, not my employer's.
Bettina Keller @bettinagkeller.bsky.social Theoretical and Computational Chemistry, Professor @FU_Berlin
Chris Oostenbrink @mms-boku.bsky.social Computational chemist at the Institute for Molecular Modeling and Simulation at BOKU in Vienna. 
Justin Lemkul @justinlemkulvt.bsky.social Associate Professor of Biochemistry at Virginia Tech. Comp Chem, CADD, and Drude FF contributor. Opinions my own. Go Hokies!
Max Epstein @donmeps.bsky.social Computational chemist in NYC
Johannes Kästner @johanneskaestner.bsky.social Computational chemistry professor at @unistuttgart.bsky.social simulating reaction mechanisms, atom tunneling, astrochemistry, MachineLearning.
https://www.uni-stuttgart.de/theochem/kaestner
Vera Krewald @verakrewald.bsky.social Quantum Chemistry at TU Darmstadt
Interested in unpaired electrons and their shenanigans, especially in transition metal complexes, catalysis, electron transfer, magnetism and photochemistry
Martin Rahm @rahmlab.bsky.social Professor of Theoretical Chemistry at Chalmers University of Technology in 🇸🇪 interested in chemical bonding, material prediction, and astrobiology. www.rahmlab.com
Charlles Abreu @charlles.bsky.social Research Scientist @MIT
Former ChemE Prof @UFRJ and Principal Scientist @RedesignScience. #CompChem #ML4Chem #ChemSky
Wojciech Kopec @wojciechkopec.bsky.social Lecturer in Computational Pharmaceutical Chemistry at Queen Mary University of London | Visiting Scientist at the Max Planck Institute for Multidisciplinary Sciences | Computational Electrophysiology & Ion Channels
Poland->Denmark->USA->Germany->UK..?
Jessica Andreani @jessicaandreani.bsky.social Researcher in computational biology / bioinformatics at @i2bcparissaclay.bsky.social 🇫🇷
Protein-protein, protein-RNA & protein-DNA interactions, structure & evolution
ML & DL
Biology of genome maintenance
Women/diversity in science
Personal account- V Alex Ganose @virtualatoms.bsky.social Lecturer in Chemistry at Imperial College London | Uses computers to simulate electrons
@laurenlporter.bsky.social @laurenlporter.bsky.social Investigates shapeshifting proteins with computation and experiment. Tenure-track. Mother of two. Foodie. Yoga lover. Opinions are mine.
Sylvain Gigan @sylvaingigan.bsky.social Prof. Sorbonne Université / @picolablkb.bsky.social / @lkblab.bsky.social | ENS Paris | Interested in Physics, but also imaging, computing, quantum optics and in the beauty and applications of light in general | proud dad & Husband | he/him
Vinay Nair @humblenair.bsky.social Compchemist | Drug Discovery Researcher
All posts my own
Saeed Amirjalayer @samirjalayer.bsky.social Prof. of Computational Chemistry
Heisenberg-Prof. (DFG)
Interdisciplinary Center for Scientific Computing
Heidelberg University
agamirjalayer.iwr.uni-Heidelberg.de
samirjalayer.de
Martin Stoermer @martinstoermer.bsky.social I do Medicinal Chemistry for viral proteases. Ginger cat and golden retriever dad. Football and non-cycling cycling fan. Chronic pain and immune compromised scientist on the slippery slope to retirement.
📍Brisbane, Queensland, Australia
Fabio Lolicato @fabiololicato.com Group Leader at the Heidelberg University Biochemistry Center (BZH)
A computational physicist lost into a biochemistry Lab.
Find me on Mastodon:
@fabiolol@scientificnetwork.de
https://fabiololicato.com
Rommie Amaro @rommieamaro.bsky.social Professor at UC San Diego. Computational biophysics, biology, chemistry. Multiscale modeler. Viruses. Cancer. Co-Director of the Airborne Institute.
Mike Jirout @jirout.bsky.social Passionate about health & medicine • tech • coffee & tea lover 🇦🇹🇪🇺
Roberto Chica Lab @chicalab.bsky.social Our research group at the University of Ottawa specializes in computational enzyme design.
mysite.science.uottawa.ca/rchica/
Marc Lensink @marclensink.bsky.social CNRS scientist computational molecular biology. Mostly talking about life, travel, science and board games, unless it's something else. 
Cory Simon @corymsimon.bsky.social applying math, computation, and machine learning to problems in chemical engineering | associate professor, Oregon State University | views mine
https://simonensemble.github.io/
Julia Montgomery 🪷 @jmaemontgomery.bsky.social computational protein engineering scientist 🧪
membrane protein enthusist, tamer of enzymes.
cookin' up cool science and even better recipes.
(she/her)
Sijia Dong @sijiadong.bsky.social Assistant Professor of Computational/Theoretical Chemistry @Northeastern University (Boston) | https://sdonglab.org | Twitter: @sijia_dong