Ryan Davis @rryandaviss.bsky.social Scientist & research professor in the Land of Enchantment. Aerosol/ physical/ analytical chemist.
José Meléndez @josemelendez33.bsky.social making my way through Theoretical/Computational Chemistry, I am looking for opportunities to join and collaborate remotely with research groups. I would be grateful for any guidance or opportunities to contribute to ongoing research projects.
James Scott @dftheodicy-jscott.bsky.social Computational Chemist/ Chemical Physicist.
Currently Postdoc @ Kyoto University Packwood Group.
14th OpenMolcas Developers’ Workshop @openmolcas26.bsky.social https://www.uv.es/openmolcas26/
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.
The Olivier Research Lab at the University of New Mexico @olivierresearchunm.bsky.social Expanding the toolbox to create new classes of structure-function optimized electronic materials relevant to energy transduction.
Dr Bee Hockin @beehockin.bsky.social recovering academic & Editor in Chief of Phytotherapy Research at Wiley 🧪 Edinburgh 📌 they/he 🏳🌈🏳️⚧️ big fan of n95 masks & clean air 😷 views & opinions are my own and are posted independently of my employer
Ananikov Lab @ananikovlab.bsky.social Laboratory of Prof. Valentine Ananikov. Interests: chemistry, catalysis, AI, molecular complexity and transformations. Web-site: http://AnanikovLab.ru; Scholar profile: https://scholar.google.ru/citations?user=V2bwOqsAAAAJ
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
Alison Bain @alisonbain.bsky.social Assistant Professor of Chemistry at Oregon State University. Physical properties of aerosol and single particle spectroscopy. Bainaerosolresearch.com
Chemistry Europe @chemistryeurope.bsky.social Chemistry Europe is an association of 16 chemical societies from 15 European countries. We publish a family of high-quality scholarly chemistry journals.
https://chemistry-europe.onlinelibrary.wiley.com/ 
Andreas Towarnicky @andcheers.bsky.social Computational chemist, process design engineer, consultant
https://www.linkedin.com/in/andyonlinkedin/
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
Alessandro Rigolon @alerigolon.bsky.social Associate prof of urban planning. Research on green space equity, green gentrification, climate adaptation, and health equity. Love SLC, my family, and the great outdoors. Opinions (good or bad) are my own 🇮🇹🇺🇸 🌩️👀 rJgnW3igNgz7
Journal of the American Chemical Society (JACS) @jacs.acspublications.org Research, news, and information from the Journal of the American Chemical Society: pubs.acs.org/JACS
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
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
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
Kimberly Prather PhD @kprather.bsky.social Atmospheric Chemistry professor, air quality, clouds-climate, health, viruses, bioaerosols, public speaker, environmental justice. ❤️ ❤️ gardening, cooking, empathy.
https://airborne.ucsd.edu
https://kprather.scrippsprofiles.ucsd.edu/
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. 
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
Chemical Science @chemicalscience.rsc.org Flagship journal for @rsc.org. Open access, all topics in chemistry. chemicalscience-rsc@rsc.org 🌐 Website: rsc.li/chemscience
Kriti Alam @alamcompchem.bsky.social Computational Chemist
Enhanced Sampling and ML Enthusiast
Crystal Structure Prediction (Polymorph Classification using Molecular Dynamics)
Ph.D. Scholar | Valsson Research Group, UNT Chemistry
Andres Montoya-Castillo @amcdynamics.bsky.social Theoretical chemist | Quantum dynamicist | Asst. Prof.
@CUBoulder | www.montoyacastillogroup.com
Bannwarth Lab @bannwarthlab.bsky.social Theoretical Chemistry Research Group @ RWTH Aachen University
https://ipc.rwth-aachen.de/Bannwarth
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
Daniele Fazzi @dfazzi82.bsky.social Materials modelling, physical-chemistry, theoretical chemistry, soft materials
Ken-ichi Yamashita @ken1yama.bsky.social Associate Professor
Dept. of Chemistry, Grad. School of Science, The University of Osaka
Organic Chemistry, Coordination Chemistry, Supramolecular Chemistry, Porphyrinoid
https://orcid.org/0000-0001-7270-1234
Basile Curchod @insilphotochem.bsky.social In Silico Photochemistry Group (Basile Curchod) at the University of Bristol. https://in-silico-photochem.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
The Matter Lab @thematterlab.bsky.social The materials for tomorrow, today.
We are the Matter Lab at the University of Toronto, led by Professor Alán Aspuru-Guzik. Our group works at the interface of theoretical chemistry with physics, computer science, and applied mathematics.
C&EN (Chemical & Engineering News) @cenmag.bsky.social https://cen.acs.org/
Sharing the world of #chemistry: News🗞 Research⚗️ Infographics #PeriodicGraphics ℹ Pictures #CENChemPics 📷 Comics #SketchChemistry 🗯 #FluorescenceFriday ❇️
American Chemical Society @acs.org ACS is home to the world’s scientific community — advancing, connecting, and empowering scientists.
ACS Publications @pubs.acs.org ACS Publications is proud to publish the most trusted, most cited, and most read collection of journals in the chemical and related sciences.
Explore ACS Publications, a division of @acs.org: pubs.acs.org
Nate DeYonker @de-lab.bsky.social Associate Professor @ University of Memphis Department of Chemistry. My words and thoughts. Always looking for new team members! synth/music/cat enthusiast. The enshittification migration continues. 
Petr Slavicek @petrslavicek.bsky.social physical and computational chemist with interest in photochemistry, radiation chemistry and X-ray technologies 
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.
Julia Westermayr @jwestermayr.bsky.social Assistant Prof. for machine learning in theoretical chemistry at Leipzig University & passionate runner
Hrant P. Hratchian @hphratchian.bsky.social opinions my own | proud dad of four | quantum chem prof and VP & grad dean @ UC Merced | Michigan native
Atomscale @atomscale-ai.bsky.social (Formerly Atomic Data Sciences)
AI for atomic scale engineering: advanced materials + synthesis copiloting
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
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
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
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 🇲🇽🇺🇸
Francesco Turci @fturci.bsky.social Lecturer in Physics, University of Bristol (UK) 
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 🍁
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
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/
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 🚴
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) 
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.
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.
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)
Daniel Saltzberg @saltzberg.bsky.social Computational structural biologist at OerthBio developing next generation agriculture products using protein degraders.
Just trying to keep up with the science and get my kids to bed on time.
Jakoah Brgoch @brgoch.bsky.social Associate Prof. occupying space somewhere between chemistry and materials science using synthesis, characterization, computation, and machine learning at the University of Houston
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/
Marc van der Kamp @marcvanderkamp.bsky.social Computational biochemist (he/him), PI of the http://vanderkampgroup.com. Likes #enzymes & #compchem, #diversity #inclusion
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
Marcos Veríssimo Alves @mverissi.bsky.social Solid-state computational physicist turned theoretical enzymologist/computational chemist. Cat dad of three.
Alexander Rose @asrose.bsky.social Scientific software engineer & computational structural biologist, #molstar web molecular graphics developer.
Felippe Colombari @colombarifm.bsky.social Computational Chemist
Molecular Dynamics | Quantum Chemistry | Machine Learning
Christina Bergonzo 🧬 @cbergonz.bsky.social Research Chemist. Food motivated. Being a scientist/mom takes up all my time. She/her. #compchem Views are my own!
Volker Deringer @vlderinger.bsky.social Computational chemist, curious about the atomic-scale structure of materials & ML for chemistry. Professor of Materials Chemistry at the University of Oxford
Gerard JP van Westen @gjpvwesten.bsky.social KNCV Gold Medal 2023.
Exploring drug space with AI 💪,
Professor of AI & Med Chem in Leiden, Computational Drug Discovery, http://cddl.nl, Opinions are my own.