Oriana Brea @orianabrean.bsky.social Computational Chemist at Johnson & Johnson Innovative Medicine. Opinions are my own.
#CompChem
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.
Lukas Wittmann @lukaswittmann.bsky.social I'm Lukas, a passionate theoretical scientist who finds joy in developing theories and algorithms that try to capture the complex physical nature of chemistry.
Jean-Marie galano @galanojeanmarie.bsky.social Organic chemist in natural products, specialized in lipid derivatives. In love with oxylipins, mass spectrometry and computational organic chemistry.
Ed Gardner @ed-gardner.bsky.social Energy Deputy Editor @rsc.org ⚡🔋☀️ working on @ees-journals.rsc.org @sef-journal.rsc.org and @energyadvances.rsc.org. Fan of all things nano and energy. All views my own
Vinay Hegde @hegdehog.bsky.social RS at Google DeepMind. Working at the intersection of AI/ML and materials science. Previous: Citrine Informatics, Northwestern. Personal account.
Michael Hurst @chemhurst.bsky.social Managing Editor at the American Chemical Society, Washington DC | Chemistry PhD 2022 from University of Oregon | views (when seldom expressed) are my own
Sagar Khare @sagarkhare.bsky.social Professor, Chemistry and Chemical Biology, Rutgers University. Interested in protein design, enzymes, molecular modeling, biophysics, AI/ML for bioX.
Here for science, society and lack of toxicity
Max Fürst @maxfus.bsky.social Asst. Prof. Uni Groningen 🇳🇱
Comp & Exp Biochemist, Protein Engineer, 'Would-be designer' (F. Arnold) | SynBio | HT Screens & Selections | Nucleic Acid Enzymes | Biocatalysis | Rstats & Datavis
https://www.fuerstlab.com
https://orcid.org/0000-0001-7720-9
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
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
Ville Kaila @kailalab.bsky.social Professor at Stockholm University, Sweden & violinist. We study how enzymes work and how biological systems capture energy.
Timothy P. Jenkins @tpjenkins.bsky.social I am an Associate Professor at DTU and leading the Digital Biotechnology Lab. I am passionate about harnessing the power of modern technology such as AI Protein Design to innovate the biotechnological landscape and develop real world solutions.
🚀 Anders S. Christensen @andersx.bsky.social Coding, machine learning, quantum mechanics, and molecules!
Lead Machine Learning Researcher 🐑 Iambic Therapeutics, Inc.
Girinath Pillai @giribio.bsky.social Lead Scientist @ Sygnature Discovery, UK
Drug Discovery, CompChem, MD, Gen AI, Knime, ML
Posts are personal!
🇮🇳🇺🇸🇪🇪🇬🇧
Dirk Tomandl @dirk-tomandl.bsky.social CTO | Co-Founder | Cheminformatics & AI |Drug Discovery | Classical Music Composer
https://www.LinkedIn.com/in/DirkTomandl/
https://www.DirkTomandl.com/
Compositions: https://www.YouTube.com/playlist?list=PLbG6g-0Kt-BdSGGCO8d1pU2-Ni2n1DEbZ
Shashank Pant, PhD @spant18.bsky.social Sr. Scientific lead @ Eli Lilly | Computational chemist & biophysicist | PhD from @Illinois_Alma @tcbguiuc | Posts reflect my own views. 🇮🇳 | email- shashankpant.lko@gmail.com
Ferran Acuña-Parés @fap89.bsky.social PhD in Computational Chemistry. Associate Professor and Researcher at UNIR. Catalysis • Bioinformatics
Prof. Graeme Watson @graeme-w-watson.bsky.social Chair of Theoretical Chemistry and Head of the School of Chemistry at Trinity College Dublin
David De Sancho @daviddesancho.bsky.social Protein Folder, father of two, married to @mariacaffarel.bsky.social
at UPV-EHU and DIPC
https://sites.google.com/view/biokt
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/
Johannes Gorges @jogorges.bsky.social PhD student | computational chemist @GrimmeLab @ @UniBonn
(he/him)- F Frank Pickard @fpickard.bsky.social Computational Chemist
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.
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. 
Konstantinos P. Zois @costaszois.bsky.social Prae Doc, Universität Wien.
Theoretical and Computational Chemistry, AG González.
ORCID: https://orcid.org/0000-0002-3833-9806
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
Dr. Marcos Casanova-Páez @mkasaneva.bsky.social Postdoc @maxplanckinstitute, Phd #compchem @unimelb, and MSc/BSc physics @uchile/@usach. Chilean 🇨🇱🏳️🌈. (he/him) #LGBTinSTEM. @orca-qc-official.bsky.social developer.
Hang Xu @hang-xu.bsky.social PhD student @ Max-Planck-Institut für Kohlenforschung
Quantum Chemist
ORCA developer
Bannwarth Lab @bannwarthlab.bsky.social Theoretical Chemistry Research Group @ RWTH Aachen University
https://ipc.rwth-aachen.de/Bannwarth
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
SmartMat @smartmat.bsky.social A Wiley's flagship #OpenAccess journal (IF = 20.4 / 2022) aiming to address the growing scientific interests in developing intelligent materials
https://onlinelibrary.wiley.com/journal/2688819x
Dorsa Rohani @dorsarohani.bsky.social Deep learning, prev @NVIDIA
Hugh Ryan @hughpatrickryan.bsky.social Gaming, ballroom dancing, rollerskating, piano, and D&D - I’m acceptably mediocre at all of them! #Switch2
Small-time journalist for Chemistry World #ChemSky
(he/him ♓️🏳️🌈)
Jan-Niklas (Nik) Boyn @jnboyn.bsky.social Computational and Theoretical Chemist. Assistant Professor @ UMN.
Abhishek Sirohiwal @sirohiwal.bsky.social Assistant Professor, IISc Bangalore and Head, Max-Planck Partner Group of MPI für Kohlenforschung. Understanding molecular basis of life using computers 💻 🧬
Web: https://sites.google.com/view/sirohiwal-lab/home
Akio Adachi @1464-205.bsky.social Virologist, Chief Editor for Frontiers in Virology.
Emeritus & Visiting Professor of Tokushima University, Japan.
https://www.frontiersin.org/journals/virology
https://htnvcl1.wixsite.com/microbiology/link
Foodie & Big fan of cats.
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
Igor Roncevic @ironcevic.bsky.social Lecturer (Assistant Prof) in Chemistry at the University of Manchester, using computers to look at organic conjugated stuff
Fabienne Dumoulin @fabdumoulin.bsky.social #WomenInSTEM
Phthalocyanines & co
Photodynamic Therapy & Molecular Materials & Nanomedicine
Associate editor JPP & RSC Advances
Acıbadem Univ.
French in Türkiye since 2005
FRSC
Dominique Beaini @dom-beaini.bsky.social Research Lead at @valenceai.bsky.social, Adjunct prof at @UMontreal and @Mila_quebec, interested in AI, deep learning, drug discovery, graphs, geometry, biology, chemistry, physics, philosophy, and the origin of life 🧠🦠
Aims to become a crazy scientist 👨🔬
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
Günter Klambauer @gklambauer.bsky.social Deep Learning researcher | professor for Artificial Intelligence in Life Sciences | inventor of self-normalizing neural networks | ELLIS program Director
Alberto Pérez de Alba Ortíz @apdealbao.bsky.social Assist. Prof. in Computational Soft Matter at U of Amsterdam.
Simulations & AI for molecular & material discovery.
From 🇲🇽.
Hrant P. Hratchian @hphratchian.bsky.social opinions my own | proud dad of four | quantum chem prof and VP & grad dean @ UC Merced | Michigan native
Angewandte Chemie @angewandtechemie.bsky.social Angewandte Chemie, a journal of the German Chemical Society (@gdch.de), is a leading journal in #chemistry published by Wiley-VCH (@wiley.com) in Weinheim, Germany
https://onlinelibrary.wiley.com/journal/15213773
Sebastian Mai @sebastian-mai.bsky.social Senior scientist with @letigonzalez at University of Vienna, SHARC and iStOMPS enthusiast
Kimika Teorikoa Lab @theochemehu.bsky.social Theoretical Chemistry Laboratory at UPV-EHU
Donostia - San Sebastián
http://www.ehu.es/chemistry/theory
Søren Strandskov Sørensen @sorenstrandskov.bsky.social Assistant Professor @Aalborg University 🇩🇰 working with oxide and hybrid materials 🧪
Joseph Bradley @josephcbradley.bsky.social Science and Tech at TBI. Former PGR Student @ King's College London. Econophysics, Complex Networks, Fractals. All views my own.
Bresien Lab @bresienlab.bsky.social Computational and molecular inorganic chemistry at the University of Rostock. We ❤ wavefunctions, phosphorus, biradicaloids, spectroscopy.
Piero Gasparotto @pgaspa.bsky.social AI4Science @ Microsoft Quantum
Fekri @fekri.io Solopreneur building AI apps
📹 genviral.io
✨ anotherwrapper.com
Other projects:
🔥 blueskyroast.com
✏️ indielogs.com
🌐 imagenmia.com
🔍 prospy.io
imitxelena003 @imitxelena003.bsky.social Electronic Structure and RDM theories; #compchem
Professor at UPV/EHU (EH, Basque Country)
Fisika Aplikatua, Gasteizko Ingenieritza Eskola
Mathieu Frenette @frenette.bsky.social Professor of chemistry in Montreal, Canada (Université du Québec à Montréal)
Mechanistic Services, Photochemistry, Physical Organic Chemistry, Free Radicals, Raman spectroscopy, Reactive Intermediates
Group website: https://labofrenette.wixsite.com/uqam/en
Jeff Raker @jeffraker.bsky.social 
Dr. Debasis Samanta @debasisclri.bsky.social Associate Professor (Acsir), principal scientist:CSIR-CLRI, India
https://clri.irins.org/profile/221410
@jaykoop.bsky.social @jaykoop.bsky.social 
Matteo Paloni @betterwithchem.bsky.social PDRA at MME-UCL, previously PD at CBS-Montpellier ( @cbsmontpellier.bsky.social). Interested in MD simulations of order and chaos.
https://scholar.google.com/citations?user=fK55KfEAAAAJ&hl=en
Rob Horne @robertihorne.bsky.social Drug discovery fellow @ D. E. Shaw Research focusing on cancer treatments 🧫 PhD from Uni of Cambridge working on inhibitors of neurodegenerative disease 🧠
Francesco Di Maiolo @francescodimaiolo.bsky.social Assistant Professor in Physical Chemistry at Parma University 🇮🇹 - Method Developer- Alexander von Humboldt alumnus 🇧🇪
Qiu Group @guanqichem.bsky.social Max-Planck-Institut (Kofo). ERC-STG 2025. physical organic conceptualization: how to think about reactivity. https://www.guanqi-qiu-lab.com
We value Intrinsic Scientific Discernments & Authenticity
Alister Goodfellow @aligoodfellow.bsky.social Comp chemist - reactivity, catalyst design and molecular graphics. 🏴🇩🇰
PDRA - Uni of Copenhagen | PDRA - Uni of Leeds | PhD - Uni of St Andrews
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.
J.I. Janairo @drjij.bsky.social 🇵🇭Professor, De La Salle University
🧪Member, Royal Society of Chemistry
💻Molecular Machine Learning
🪢Peptides
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/
Victor Javier @vjsanchez.bsky.social Professor at UFV. Head of the Molecular Oncology Group. Hospital 12 de Octubre, Pancreatic Cancer, 🧪🔬Epigenetics, Therapeutic targets, Python, Machine Learning, Statistics and Bioinformatics. 🖥️🧬
Gaurav Bhardwaj @gauravbhardwaj.bsky.social Assistant Professor of Medicinal Chemistry at Univ of Washington and Institute for Protein Design | Scientist | Computational Peptide/Protein Design
Luca Naef @lucanaef.bsky.social Co-Founder & CTO, @vant_ai
Forbes 30u30 but won't go to jail | prev. ETH Zurich Stanford McKinsey
AI x Bio/Chem. vi/vim
Jonathan Lorraine @jonlorraine.bsky.social Research scientist @NVIDIA | PhD in machine learning @UofT. Previously @Google / @MetaAI. Opinions are my own. 🤖 💻 ☕️
Mark A Olson @mark-a-olson.bsky.social Associate Professor at Texas A&M University Corpus Christi , Teacher-Scholar, Pseudoscience Critic, Tex-Mex Father of 5 Who's Guilty of Astronaut Envy
www.olsonlaboratory.com
Sebastian Kozuch Comp Chem 🎗️ @kozuchsebastian.bsky.social Chemistry Prof. at Ben-Gurion University of the Negev
Quantum, Catalysis, Tunneling and the Chemical Bond.
Plus some other stuff loosely connected with science and the academy.
Jérôme LONG @jeromelong.bsky.social Professor of Chemistry
Université de Montpellier
Institut Universitaire de France
Institut Charles Gerhardt
Rajeev Kumar Singh @rajeevkumarsingh.bsky.social Professor, Higher education leader
Paulo E. Abreu @g0shie.bsky.social Professor of Chemistry@Universidade de Coimbra. Chemistry, cooking, clarinets, symmetry, music, art, computers and programming all make me tick!
https://orcid.org/0000-0003-2393-0203
Thomas Froitzheim @thfroitzheim.bsky.social Theoretical chemist in the @grimmelab.bsky.social working on semiempirical methods and excited states
Molecular Foundry @molecularfoundry.lbl.gov The official account of the Molecular Foundry, a nanoscale science user facility at Berkeley Lab. Researchers from around the world submit proposals to get free access to our experts, state of the art tools, and innovative capability development
Dom Willcox @domrwillcox.bsky.social Assistant professor in chemistry at Heriot-Watt University. Making complex molecules with automation. https://willcoxlab.co.uk/
Marfan’s awareness https://www.marfantrust.org
Santiago Movilla @santiagomovilla.bsky.social Molecular Modeler #compchem from Colombia #cienciacriolla. #PhD in Theoretical Chemistry and Molecular Modelling. Postdoc Researcher at Orozco's Lab at @irbbarcelona.org 🧬🖥️
Dr Andrea Laybourn @andrealaybourn.bsky.social Materials chemist & adopted engineer. UKRI Future Leaders Fellow & Assoc Prof @ Uni Leeds, UK. Porous functional materials, #MOFs #microwave, #flow synthesis, scale-up. Part of #MOFleyCrew. She/her 🌈 #FirstGen #WomeninSTEM #UKRI #UKRIFLF. Own views.
Adrian Mulholland @adrianmulholla1.bsky.social Professor of Chemistry, University of Bristol. Computational chemistry,enzyme catalysis, biomolecular simulation,HPC,antibiotic resistance.Views my own.
Dr. Fatma Kaplan @drfatmakaplan.bsky.social CEO & Founder @Pheronym.com alumna of @Indbio @activatefellows @cyclotronroad
I am a #scientist #inventor #entrepreneur
I work on #biocontrol #pheromones #nematodes #astronematode #wormsinspace #climatesmart #agriculture
Prof. F.L. Gervasio Research Group @gervasiolab.bsky.social We are the biomolecular and pharmaceutical modelling laboratory directed by Prof. Gervasio at Uni Geneva and UCL London. We develop enhanced sampling algorithms and perform simulations on systems bio-pharmaceutical interest (GPCRs, kinases, ...)
Theodore S. Dibble @ted-dibble.bsky.social Atmospheric/environmental chemistry professor. Physical chemist by training using computational quantum chemistry and kinetics. #AtmosChem. Born at 320 ppmv.
pronouns: he/him/his
Ken Lo @bhkenlo.bsky.social Chair Professor of Inorganic Chemistry at City University of Hong Kong. Associate Editor of Inorganic Chemistry.
https://personal.cityu.edu.hk/bhkenlo/index.htm
Shozeb @shozebhaider.bsky.social Professor of Biophysics, Drug Discovery, Photographer, Traveller and a Cultural succupus.
Advanced Modelling Lab ⌬💻 @manuelmellelab.bsky.social 💻 Simulations of properties for most materials and molecules:
💡If you can make them, we can probably simulate them!
Alex Thiery @alexxthiery.bsky.social Associate Prof. in ML & Statistics at NUS 🇸🇬
MonteCarlo methods, probabilistic models, Inverse Problems, Optimization
https://alexxthiery.github.io/
Jay Johal @jayjohal.bsky.social PhD Student in the Day Group at the University of Southampton. Working on using Crystal Structure Prediction for Materials Discovery. He/Him.
Jason Munro @jsnmunro.bsky.social AI for advanced materials R&D | Co-Founder Atomscale | Prev. scientist and engineer for materialsproject.org @berkeleylab.bsky.social
Tomas Martin @darrkespur.bsky.social Associate Professor in Materials Physics at the University of Bristol. Editor-in-Chief of Materials Today Communications. Father of a toddler and a cat, husband. Science fiction author, miniature painter, climber, nerd. He/him
Kelvin Lee @inequivariant.bsky.social Scientific ML Engineer @ NVIDIA working on AI4Science. Previously postdoc at MIT Chemistry and Smithsonian Astrophysical Observatory.
Opinions are my own 😽
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
Zécca Lehn @zecca.bsky.social Venture Scale Positive Impacts 💚
www.zeccalehn.com 📍SoCal
Philipp Klahn @docklahn.bsky.social PI@KlahnLab, CEO@naconLabs - Natural product, MedChem and Chemical Biology enthusiast #SpotlightonSynthesis, #SpotlightonChemicalBiology, #BioinspiredToolCompounds, #InspiredbyNaturesDesign
www.klahnlab.de, ORCID 0000-0003-4713-2345
Division of Organic and Medicinal Chemistry/GU @omc-gu.bsky.social Division of Organic and Medicinal Chemistry
Department of Chemistry and Molecular Biology
University of Gothenburg
Nordic Retrosynthesis Challenge @nordicretrosynt.bsky.social The biggest retrosynthesis competition in the Nothern Coutries (Sweden, Denmark, Norway and Finland)
www.NordicRetrosynthesisChallenge.com