14th OpenMolcas Developers’ Workshop @openmolcas26.bsky.social https://www.uv.es/openmolcas26/
James Scott @dftheodicy-jscott.bsky.social Computational Chemist/ Chemical Physicist.
Currently Postdoc @ Kyoto University Packwood Group.
Miquel Solà @miquelsola.bsky.social Theoretical and computational chemist, University of Girona, supporter of Girona FC and Barcelona FC, like to play tennis and footbal and hiking.
Rocío Mercado Oropeza @rociomer.bsky.social Assistant professor in Data Science and AI at Chalmers University of Technology | SciLifeLab Group Leader | PI for AI lab for Molecular Engineering (AIME) | ailab.bio | rociomer.github.io
Raymond Mumme @rpmumme.bsky.social Grad Student in Comp Sci @ UIUC @uofigrainger.bsky.social | Former Sr. Research Asst. in Radiation Physics @ Univ. of Texas MD Anderson Cancer Center @mdanderson.bsky.social, developed AI for RPA https://rpa.mdanderson.org | 🏳️🌈 he/him | Views are my own
PCET5 @pcet5.bsky.social 5th International Conference on Proton-Coupled Electron Transfer
September 14-18, 2026, Göttingen University, Germany
https://www.uni-goettingen.de/pcet
OeAD Citizen Science @oeadcitizenscience.bsky.social Informations-, Beratungs- & Servicestelle für #CitizenScience im OeAD
Information, Advisory & Service Center for #CitizenScience at the OeAD
https://oead.at/de/studieren-forschen-lehren/citizen-science/zentrum-fuer-citizen-science
@sandrowieser.bsky.social @sandrowieser.bsky.social 
Patrick Melix @patrickmelix.bsky.social Dad | Aspiring Scientist | Theoretical Chemist at Leipzig University | Some Other Things | patrickmelix.de
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/
@hohlochlab.bsky.social @hohlochlab.bsky.social 
@gkhmadsen.bsky.social @gkhmadsen.bsky.social Theoretical materials chemistry at TU Wien
Esther Heid @esther-heid.bsky.social Assistant professor for machine learning, deep learning, and AI for chemistry at TU Wien. Programmer, scientist, and puppy-enthusiast
Miguel Steiner @miguel-steiner.bsky.social PostDoc in Gomez-Bombarelli group at MIT supported by SNSF, PhD with Markus Reiher at ETH, and Austrian delegate of the EYCN
UnterlassLAB @unterlasslab.bsky.social Director @fraunhoferisc.bsky.social | Chair of Chemical Technology of #Materials #Synthesis @uni-wuerzburg.de | Adjunct PI @cemm.oeaw.ac.at | Assoc. Editor @jmaterchem.rsc.org | Spokesperson of www.art-design.fraunhofer.de | #SciGD | unterlasslab.com
Alexander Pöthig @apoethig.bsky.social Chemist and Crystallographer | 🏳️🌈 | he/him/his | Group Leader @TU_Muenchen | Managing Director @TUMcatalysis | views are my own
The Colombo Lab @lab-colombo.bsky.social Computational Chemistry and Biology Lab; Proteins and Small Molecules; Always Room for Improvement.
Dept. of Chemistry, University of Pavia, Italy
Jason Yalim @yalim.bsky.social Sr. ML Eng. @ PayPal's GFP ML R&D.
Formerly Assistant Research Professor, Computational Research Accelerator, a supercomputing-adjacent unit @ Arizona State University. PhD Applied Math. on stratified fluid flows.
math.la.asu.edu/~yalim
Views my own
Larry Miller, PhD @larrymillerphd.bsky.social Biochemist 🧪| Helping Life Scientists & Sci Communicators Translate Expertise into Career Opportunity | UCLA PhD + NIH Alum | Pharma R&D @GSK + @AstraZeneca 💊 | #SciComm Director ✍️|Career Coach | Star Trek | Sherlock Holmes | 🎹 | https://larrymillerphd.com
@janbrossette.bsky.social @janbrossette.bsky.social PhD student in the Zipse Group at LMU Munich, specializing in computational chemistry, primarily focused on organic systems.
@agtheochem.bsky.social @agtheochem.bsky.social 
Martí Gimferrer @mgimferrer.bsky.social Post-Doc at the Institut für Physikalische Chemie @uniGoettingen
Playing with chemical bonding, nuclear-quantum effects, and some reaction mechanisms
ORCID: 0000-0001-5222-2201
GS: https://scholar.google.com/citations?user=Ib8HIWoAAAAJ&hl=en
Hung Nguyen @tienhungf91.bsky.social Assistant Prof @UBChemistry | Computational modeling of RNA structure and folding, intrinsically disordered proteins and phase separation | BioSimLabUB.github.io
@jacob-kirsh.bsky.social @jacob-kirsh.bsky.social Physical chemist interested in structure, spectroscopy, and simulations of membrane proteins. Current: Postdoc in Bil Clemons lab @Caltech. Previous: PhD in Steve Boxer lab @Stanford.
James Krieger @jameskrieger.bsky.social Senior data scientist in computational structural biology, protein dynamics and cryoem | Marie Sklododowska-Curie fellow w Jose Maria Carazo and Carlos Oscar Sorzano | postdoc w Ivet Bahar
A. Reza Mehdipour @rezamehdipour.bsky.social Assist. Prof. Molecular Modelling
Ghent University
#Protein dynamics #MD simulation
Membrane proteins transporters
@lstelzl.bsky.social @lstelzl.bsky.social Prof Biomolecular Simulations Uni Mainz. Disordered proteins, nucleic acids and their dynamics, complexes and phase-separated condensates. Integrating simulations and experiments.
RSC Mechanochemistry @rscmechanochem.rsc.org
The first journal dedicated to the study of mechanochemistry, from fundamental to applied innovations.
Published by @rsc.org 🌐 Website: rsc.li/RSCMechanochemistry
RSC Advances @rscadvances.rsc.org An international journal at the heart of open access for the global chemistry community.
Published by @rsc.org 🌐 Website: rsc.li/rscadvances
GiovanniMaria Piccini @giovannimpiccini.bsky.social Associate professor of theoretical chemistry at University of Modena and Reggio Emilia. Interested in molecular simulations, catalysis, reactivity. 
Christian Zimmermann @chrzimmermann.bsky.social Molecular biologist, fungi, natural products, baking, fish keeping, gardening 🏳️🌈
Adam Pecina @adampecina.bsky.social Computational Chemist | Researcher at IOCB Prague 🇨🇿
I specialize in quantum chemistry and computational drug design. Alumnus of Charles University & Palacký University. Former postdoc at the Italian Institute of Technology & Marie Curie (IF) Fellow.
Sarah (she/her) @rainford90.bsky.social Deputy Editor for RSC Advances, RSC Mechanochemistry and RSC Pharmaceutics
All views are my own
Maylis Orio @maylisorio.bsky.social CNRS senior researcher in quantum (bio)inorganic chemistry at Aix Marseille University, France
https://ism2.univ-amu.fr/fr/annuaire/orio-maylis
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
New Journal of Chemistry @newjchem.rsc.org A journal for new directions in chemistry, owned by the CNRS and co-published with @roysocchem.bsky.social
🌐 Website: rsc.li/newjchem Published by @rsc.org
Chemical Society Reviews @chemsocrev.rsc.org High impact, accessible reviews from across the chemical sciences. For queries, contact chemsocrev-rsc@rsc.org
Published by @rsc.org 🌐 Website: rsc.li/chemsocrev
Tim Duignan @timothyduignan.bsky.social Researcher at Orbital Materials. Working on molecular simulation with ML for chemical engineering applications.
Juan Carlos Sancho-García @quantumalicante.bsky.social **Quantum & Computational Chemistry
#compchem #theochem #DFT 💻🌍💭
**Scientist and Senior Lecturer at University of #Alicante, Spain. 🇪🇸☀️🥘🍤🍊⛵️⛱️
**Editor-in-Chief of Theor. Chem. Acc. (founded in 1962, the oldest journal in our field) Views are my own
Thomas La Cour Jansen @lacour.bsky.social Physics, Chemistry, Nanoscience
Ultrafast Computational Spectroscopy
http://computationalspectroscopy.eu
Groningen
Koehn group (theoretical chemistry) @koehngroup.bsky.social Andreas Köhn's research group at the University of Stuttgart
develops quantum chemical methods (in particular in coupled-cluster theory) and investigates open-shell systems; we also love scientific visualization in augmented reality
Hugh Burton @hughburton.com Theoretical chemist studying the quantum properties of molecules.
@royalsociety.org University Research Fellow at @uclchemistry.bsky.social.
Previously @downingcollege.bsky.social and @newcollegeoxf.bsky.social.
www.hughburton.com | x.com/HughGABurton
Michael K Gilson @bmix.bsky.social Prof at UC San Diego's Skaggs School of Pharmacy and Pharmaceutical Sciences.
Concepts, tools and methods: stat thermo of binding. GIST. BindingDB. Open Force Field. Other stuff...
Does some ceramics, i.e., potters around.
Daniel Tabor @danieltabor.bsky.social Assistant Professor, Texas A&M Chemistry. Theoretical chemistry, focus currently on molecular and condensed phase spectroscopy, organic materials design, the Center for the Mechanical Control of Chemistry, and polymers. Views are my own. dtaborgroup.com
Physical Chemistry Chemical Physics @pccp.rsc.org An international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry.
🌐 Website rsc.li/PCCP
ChemComm @chemcomm.rsc.org Urgent short communications of outstanding significance from across the chemical sciences. Email: chemcomm-rsc@rsc.org
Published by @rsc.org 🌐 Website: rsc.li/chemcomm-journal
Materials Horizons @materialshorizons.rsc.org Materials Horizons, leading journal for the publication of exceptionally high quality, innovative materials science.
Published by @rsc.org 🌐 Website: rsc.li/materialshorizons
Chemical Science @chemicalscience.rsc.org Flagship journal for @rsc.org. Open access, all topics in chemistry. chemicalscience-rsc@rsc.org 🌐 Website: rsc.li/chemscience
Journal of Materials Chemistry A, B, C @jmaterchem.rsc.org Journal of Materials Chemistry A, B & C - Home for high-quality materials chemistry research. Together with @materialshorizons.rsc.org, @rscapplied.rsc.org & @materialsadvances.rsc.org providing full coverage of materials science research. 
Bannwarth Lab @bannwarthlab.bsky.social Theoretical Chemistry Research Group @ RWTH Aachen University
https://ipc.rwth-aachen.de/Bannwarth
Christina M Tonauer @cmtonauer.bsky.social physical chemist, water and ice chemistry enthusiast, postdoc @desy & uibk and likes music
https://orcid.org/0000-0001-6859-5344
Giulia Palermo @giuliapalermo.bsky.social https://palermolab.com
Giulia Palermo Lab at the University of California, Riverside. Biophysicist passionate about Science & Art! In love with Nucleic Acids and Computational Science!
Daniele Fazzi @dfazzi82.bsky.social Materials modelling, physical-chemistry, theoretical chemistry, soft materials
@davidfer-gz.bsky.social @davidfer-gz.bsky.social Galego. Químico - Organic Chemist. Anime fan.
Process Development at Pfizer. Former Princeton University postdoc researcher, USC graduate.
Views, opinions, rt and comments are my own.
Nature Synthesis @natsynth.nature.com A synthesis-oriented chemistry & materials science journal from
@natureportfolio.nature.com. Posts by the editors @peterseavill.bsky.social @alexrgroves.bsky.social @jetsinglee.bsky.social
https://www.nature.com/natsynth/
Chinese Chemical Letters @chinchemlett.bsky.social A leading chemistry journal by Chinese Chemical Society and Elsevier @elsevierconnect.bsky.social, covering the whole field of chemistry. IF = 9.5 (2025). Posted by @zhichangliu.bsky.social on behalf of the editorial office.
t.co/XTvPAyP30M
Advanced Modelling Lab ⌬💻 @manuelmellelab.bsky.social 💻 Simulations of properties for most materials and molecules:
💡If you can make them, we can probably simulate them!
Bioinorganic and Supramolecular lab @bioinorgsupra.bsky.social Inorganic chemists at Instituto de Química, Universidad Nacional Autónoma de México (UNAM), led by Ivan Castillo
Laura Gagliardi @gagliardilaura.bsky.social Professor at the University of Chicago. Previously at U Minnesota and U Geneva. From Italy. I value a culture of diversity and solidarity.
https://gagliardigroup.uchicago.edu/
Neufeldt Lab @neufeldtlab.bsky.social Organic and organometallic research at Montana State University. Established 2016. Mostly student-run account. Our views are our own. 
Elisabeth Bik @elisabethbik.bsky.social Science integrity consultant and crowdfunded volunteer, PhD.
Ex-Stanford University. Maddox Prize/Einstein F Award winner
NL/USA/SFO.
#ImageForensics
@MicrobiomDigest on X.
Blog: ScienceIntegrityDigest.com
Support me: https://www.patreon.com/elisabethbik
Anne Vázquez @annevazquez.bsky.social Environmental chemistry and chemical education research.
Assistant Professor of Chemistry at St. John's University.
Queens, NY
Pronouns: she/her
Linas Vilc @einulf.bsky.social Professor https://www.vu.lt/en, Principal researcher at http://eesg.ftmc.lt. Physical chemist. Electrochemist. Molecular modeler. Jack of all trades.
Alessandro Lunghi @lunghiale.bsky.social Ass't Prof. in Physics, Trinity College Dublin. Interested in the theory of Spin Relaxation, Open Quantum Systems, Electronic Structure, and Machine Learning
Edgardo De Leon @edlalio.bsky.social Computational chemist:)
Graduate student at St Louis university
Studies on cytoplasmic models
Ferruccio Palazzesi @ferripala.bsky.social (He/Him) #compchem, with a big passion for unicorns 🦄 
Oriana Brea @orianabrean.bsky.social Computational Chemist at Johnson & Johnson Innovative Medicine. Opinions are my own.
#CompChem
Barak Hirshberg @barakhirshberg.bsky.social #MolecularSimulations | Associate Professor Tel Aviv University | PostDoc: Rothschild Fellow, Parrinello group, ETH Zurich | PhD: Adams Fellow, w/Benny Gerber, Hebrew University
Mac Kevin Braza @mackevinbraza.bsky.social Postdoctoral Fellow in Filizola Lab at Icahn School of Medicine at Mount Sinai
María Pilar de Lara-Castells @accosycost.bsky.social Chair of the COST Action CA21101: Research network in Europe dedicated to COnfined Molecular SYstems (COSY). Permanent Researcher at IFF-CSIC.
https://cost-cosy.eu
https://www.cost.eu/CA21101
@cosy-action.bsky.social
Søren Strandskov Sørensen @sorenstrandskov.bsky.social Assistant Professor @Aalborg University 🇩🇰 working with oxide and hybrid materials 🧪
Piero Gasparotto @pgaspa.bsky.social AI4Science @ Microsoft Quantum
Johannes Stöckelmaier @jostoe.bsky.social Computational Chemist, Design Enthusiast and Scientific Software Engineer.
Communications Chemistry @commschem.nature.com An open access @NaturePortfolio journal publishing high-quality primary research articles, reviews and commentary in all areas of the chemical sciences.
nature.com/commschem/
Kasia Tych @biophysk.bsky.social Single molecule biophysicist, Rosalind Franklin Fellow and Associate Professor at the University of Groningen. Enjoys food, bouldering, silliness & science.
@matt-sinclair.bsky.social @matt-sinclair.bsky.social 
Markus Suta @markussuta.bsky.social TT Juniorprofessor @HHU.bsky.social, leading the Inorganic Photoactive Materials Group. Father of 2, work on inorganic emitters, thermometry, LEDs, Modelling, Upconversion.
Check out: https://www.photoaktivematerialien.hhu.de/en
@kirchnerlab.bsky.social @kirchnerlab.bsky.social 
Rafał Szabla @rafal-szabla.bsky.social Theoretical Chemist; Group leader at the Wrocław University of Science and Technology; interested in biomolecular (photo)chemistry, photoinduced electron transfer and prebiotic chemistry; avid runner;
https://iam.pwr.edu.pl/people/rafal-szabla
Prof Simon Lancaster @sjlancaster.bsky.social Woke European educator (Chemistry and Higher Education) he/him
@jdietschreit.bsky.social @jdietschreit.bsky.social Habilitant in the group of Leticia González. Combining machine learning and excited state molecular dynamics simulation with stat mech.
Erik Strub @erikstrub.bsky.social Nuclear chemist, interested in anything scientific, cycling, fermentation, music, and the rest. Ratio is always important.
@nbarrabes.bsky.social @nbarrabes.bsky.social 
Tereza Pavlickova @terezapupuco.bsky.social Organic chemist | Chirality explorer from stereoselective synthesis to spectroscopy | Postdoc at UCT Prague | Technion, UMontpellier, CUNI and IOCB Prague alumna | Irredeemable epicure, wine🍷 and coffee☕️ lover/addict
Julia Westermayr @jwestermayr.bsky.social Assistant Prof. for machine learning in theoretical chemistry at Leipzig University & passionate runner
Florent Louis, FRSC @florentlouis59.bsky.social Associate Professor @univlille.bsky.social
Fellow RSC
Subject chair #RSCposter #RSCEnv 2026
Associate Editor "Contaminants, Environment, Society"
Gold medal @comeniusuni.bsky.social
#ChemSky #VOCs #contaminants. Posts are my own.
Bettina Lier @bettinalier.bsky.social #compchem PhD candidate @mms-boku.bsky.social, Vienna
into science, music, handlettering, macro/tele photography, mechanical keyboards, (board) gaming & linux ricing
Günter Klambauer @gklambauer.bsky.social Deep Learning researcher | professor for Artificial Intelligence in Life Sciences | inventor of self-normalizing neural networks | ELLIS program Director
Alexander K Opitz @alex-k-opitz.bsky.social Professor for Electrochemical Energy Conversion at TU Wien
Atomscale @atomscale-ai.bsky.social (Formerly Atomic Data Sciences)
AI for atomic scale engineering: advanced materials + synthesis copiloting
Sarah Rauscher @sarahrauscher.bsky.social Associate Professor, Computational biophysicist @UofT
http://rauscher-group.physics.utoronto.ca
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
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
Ulrich Hintermair @hintermairlab.bsky.social Chemistry research group working on sustainable chemistry and renewable energy at the University of Bath, UK.
❤️ organometallics, homogeneous catalysis & operando spectroscopy
https://www.hintermair-research.com/
ClusCat Lab @cluscatlab.bsky.social Nanocluster catalysis research group at the TU-Wien
@bholzer.bsky.social @bholzer.bsky.social 
Sebastian Mai @sebastian-mai.bsky.social Senior scientist with @letigonzalez at University of Vienna, SHARC and iStOMPS enthusiast
Anna-Sophia Egger-Hörschinger @asegger.bsky.social