Pat Walters @wpwalters.bsky.social Cheminformatics, ML, Drug Discovery
Society for Medicines Research @socmedres.bsky.social The Society for Medicines Research is a UK based charity connecting scientists engaged in drug discovery. We organise scientific mentoring events.
https://smr.org.uk
Zhichang Liu @zhichangliu.bsky.social Associate Professor at Westlake University l Associate Editor of SmartMat @smartmat.bsky.social. Focus on Molecular-Strain Engineering / Supramolecular Organic Functional Assembly
liu.westlake.edu.cn
Astrophysica @thephysicsjournal.substack.com Physics, Space, Quantum Computing | BTC: bc1qqu05pu3rdqjchnh37mtylrgprkk94udc3g3umj
https://thephysicsjournal.substack.com
Luisa Ciano @luisaciano.bsky.social Assistant Professor at the University of Nottingham.
sunnie @sunniekong.bsky.social chem phd candidate @ uc berkeley but really more of a microbio gal 🧫
// bioinorganic, barely
Parc de Recerca Biomèdica de Barcelona @prbb.org We are the largest biomedical science hub in the south of Europe, by the beach in Barcelona.
Recerca biomèdica amb vistes |
@researchmar.bsky.social @crg.eu @melisupf.bsky.social @embl.org @isglobal.org @ibe-barcelona.bsky.social @fpmaragall.bsky.social
MBP Research & Communication @mbp-rnc.com Enabling Researchers to Focus on Breakthroughs—
Services: proposal writing to secure funding & drafting articles to communicate your work. Expertise: R&D, lab automation, scientific writing (https://newsletters.mbp-rnc.com/calendar?utm_source=Bluesky)
Pierre-Francois Loos @titouloos.bsky.social CNRS senior research at the Laboratoire de Chimie et Physique Quantiques in Toulouse (France) interested in electronic structure theory & excited states
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/
Xin@QuantumChem @xinquantum.bsky.social Computational Chemist
@NJ/NYC
Github: https://github.com/XinChenQC
Soos OrgCat Lab @soosgroup.bsky.social Synthetic organic chemistry group from Budapest focused on organocatalysis, frustrated Lewis pairs, strained heterocycles and natural product total synthesis. (Student-run)
https://www.orgcat.hu/
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.
Nanonetes 🧠 @handle.invalid Combing Neuroinformatics with Neuroinformatics to find patterns of life!
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.
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
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/
Matthew B. Plutschack @immatthewp.bsky.social Empowering Researchers to Focus on Breakthroughs.
Specializing in grant writing support to help researchers secure funding and draft articles. Expertise in chemical R&D, lab automation, impactful scientific communication. (https://www.mbp-rnc.com/)
Janet Iwasa @jiwasa.bsky.social Molecular animator, cell biologist, biochemist, science communicator. Head of the Animation Lab, and writer of the RCSB PDB Molecule of the Month
Dr. SkySkull @drskyskull.bsky.social Professor of optics, blogger of physics, history, & pulp fiction. Generally tries to keep things light-hearted, in spite of *waves hands at everything* (he/him) Blocking doomerism on sight.
blog: https://skullsinthestars.com/
Albert Vilella, PhD. @albertvilella.bsky.social Bioinformatics Scientist / Next Generation Sequencing, Single Cell and Spatial Biology, Next Generation Proteomics, Liquid Biopsy, SynBio, AI/ML in biotech // http://albertvilella.substack.com
Marcelo D. Polêto @mdpoleto.bsky.social Computational Biochemist @ Universidade Federal de Viçosa (UFV) | Molecular simulations | Drude Polarizable FF | Enzyme engineering | Sustainability ♻️. Trying to grow my own agroforestry system 🌳🫒. he/him 🇧🇷
https://mdpoleto.github.io/
Studio Mineralia @studiomineralia.bsky.social ✨Macro Mineral Explorer✨Most Are Available✨
✨Dig It -> Summer Sale @ studiomineralia.com✨
Jenn Sydeski 🧬 📈 🩺 ⛑️ @jennifersydeski.com 🌱Be the helpers, friends! Mr. Rogers is looking for you🌿
💙 Health Tech 🩻 Life Sciences 🧬🧪 AI 🤖 VR ᯅ Accessibility Advocacy ♿ Community Medical Care ⛑️ Mutual Aid 🤝 Supporting Moms 🦋 Nerdfighteria 🖖 Pittsburgh 🩵 www.jennifersydeski.com
CRC 1487 "Iron, upgraded!" @iron-upgraded.bsky.social The CRC 1487 “Iron, Upgraded!” was established in 2022 and contributes to sustainability with its research on iron.
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!"
ICFO @icfo.eu Let's put photons to work for Health, Information and Energy. A
#CERCA center affiliated to the UPC and a member of #BIST.
Centre de Regulació Genòmica (CRG) @crg.eu Hola! We are the CRG, a research institute exploring the frontiers of biology in Barcelona. Som un centre CERCA. www.crg.eu
BIST-Barcelona Institute of Science and Technology @bist.eu Institution of scientific cooperation of 7 top Catalan research centres: CRG, IBEC, ICFO, ICIQ, ICN2, IFAE and IRB Barcelona.
www.bist.eu
IRB Barcelona @irbbarcelona.org International research centre devoted to curing #cancer and other diseases linked to #aging. @cerca.cat center, member of @bist.eu.
www.irbbarcelona.org
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
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. 🇪🇺
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.
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).
Peter Knowles @cwantwm.bsky.social Quantum chemist at Cardiff
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 X. 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/
Carlo Camilloni @carlocamilloni.bsky.social Associate professor at the University of Milano.
Biophysics and computational structural biology.
https://compsb.unimi.it
Developer @plumed.org
https://orcid.org/0000-0002-9923-8590
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
Gerald Monard @gmonard.bsky.social Computational Chemistry & High-Performance Computing.
Former Professor & HPC Center Director.
Now Senior Microsoft Quantum Engineer.
Views are my own.
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
Jan Unsleber @nabbelbabbel.bsky.social Researcher and Software Engineer (Theoretical Chemistry, #CompChem, #ChemSky).
Currently: @microsoft.com Quantum 🇩🇰. Formerly: Post-Doc @ethzurich.bsky.social 🇨🇭, PhD @uni-muenster.de 🇩🇪.
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