Leibniz INM @leibnizinm.bsky.social INM – Leibniz Institute for New Materials is a research institute in Saarland, Germany that is exploring new materials for a better world
leibniz-inm.de/en/imprint/
@sabia-group.bsky.social @sabia-group.bsky.social Research group led by Mariana Rossi (@mahrossi.bsky.social), hosted at the MPI for Structure and Dynamics of Matter in Hamburg
Chemical Sciences (M.Sc.) | University of Stuttgart @chemicalsciences.bsky.social Master's study program @unistuttgart.bsky.social for international graduates with a bachelor's degree in chemistry and related fields.
https://www.uni-stuttgart.de/en/study/study-programs/Chemical-Sciences-M.Sc./
westermayrgroup @westermayrgroup.bsky.social Research group of Junior Professor Julia Westermayr
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
Julia Westermayr @jwestermayr.bsky.social Assistant Prof. for machine learning in theoretical chemistry at Leipzig University & passionate runner
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.
Mark Tuckerman @grouptuckerman.bsky.social We perform research in theoretical chemistry, specifically classical and quantum statistical mechanics, mathematical approaches, and machine learning methods applied to condensed phases.
limmerlab @limmerlab.bsky.social Theoretical chemistry group UCB_Chemistry, working in the areas of quantum dynamics and nonequilibrium statistical mechanics http://www.cchem.berkeley.edu/dtlgrp/
Sílvia Escayola @silviaescayola.bsky.social Computational Chemist👩🏻💻 | Postdoc @humboldt-foundation.de at @unistuttgart.bsky.social | PhD @dimocat-iqcc.bsky.social @iqccudg.bsky.social and @DIPCehu
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- B Bálint Máté @balintmate.bsky.social phd student @geneva, ML+physics
https://balintmate.github.io
Nature Portfolio @natureportfolio.nature.com Nature Portfolio’s high-quality products and services across the life, physical, chemical and applied sciences is dedicated to serving the scientific community.
Daniel Musekamp @danielmusekamp.bsky.social PhD student @ University of Stuttgart
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
@falesiani.bsky.social @falesiani.bsky.social 
Marcel M @mrclmllr.bsky.social Postdoctoral Fellow at @thematterlab.bsky.social with @aspuru.bsky.social | PhD in Theoretical Chemistry | ex FCI scholar & Digital Chemistry @merckgroup.bsky.social
Ben Miller @bkmi.bsky.social FAIR Chemistry. Simulation-based Inference.
Takashi Maruyama @takashimal.bsky.social Researcher @NECLabsEU. Previously visiting scholar, SNAP
@Stanford. My personal homepage https://sites.google.com/view/tmaruyama/home
American Chemical Society @acs.org ACS is home to the world’s scientific community — advancing, connecting, and empowering scientists.
Mario Barbatti @mbarbatti.bsky.social Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
Materials Research Society @materials-mrs.bsky.social #sciencecommunity of #materialsscience #materialsresearch #engineering #technology #science #nanotech #quantum #AI #robotics #biotech and more! Explore MRS.org
the Kulik Group @kulikgroup.bsky.social An Inorganic Design, Computational Chemistry, Machine Learning, and Enzyme Catalysis Research Group in Chemical Engineering at MIT.
Led by Prof. Heather J. Kulik
hjkgrp.mit.edu
Günter Klambauer @gklambauer.bsky.social Deep Learning researcher | professor for Artificial Intelligence in Life Sciences | inventor of self-normalizing neural networks | ELLIS program Director
Durk Kingma @dpkingma.bsky.social Research scientist at Anthropic. Prev. Google Brain/DeepMind, founding team OpenAI. Computer scientist; inventor of the VAE, Adam optimizer, and other methods. ML PhD. Website: dpkingma.com
Ian Goodfellow @ian-goodfellow.bsky.social Research Scientist at DeepMind. Opinions my own. Inventor of GANs. Lead author of http://www.deeplearningbook.org . Founding chairman of www.publichealthactionnetwork.org
Ganna (Anya) Gryn’ova 🇺🇦 @grynova.bsky.social Associate Professor of Computational Chemistry, University of Birmingham
https://www.grynova-ccc.org/
views my own
Bettina Keller @bettinagkeller.bsky.social Theoretical and Computational Chemistry, Professor @FU_Berlin
Janus Juul Eriksen @januseriksen.bsky.social Assoc. prof. in #compchem at DTU (🇩🇰) -- Previously: Bristol Uni (🇬🇧) & Uni Mainz (🇩🇪). Member of @theyoungacademydk.bsky.social (🇩🇰, 2022-27).
HITS - Heidelberg Institute for Theoretical Studies @hitsters.bsky.social Est. 2010 by physicist & SAP co-founder Klaus Tschira & Klaus Tschira Foundation as a private, non-profit research institute. Basic research in natural, mathematical, and computer sciences. Application areas range from molecular biology to astrophysics.
Mariana Rossi @mahrossi.bsky.social Brazilian, mother, scientist. Living in Hamburg. Surviving in science ;-)
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
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
Grimme Lab @grimmelab.bsky.social Development and application of efficient computational chemistry methods - based @unibonn.bsky.social.
This account is managed by group members of Prof. Stefan Grimme.
FHI-aims @fhi-aims.bsky.social This is the BlueSky presence of the FHI-aims electronic structure code - https://fhi-aims.org/ . FHI-aims is a community-based electronic structure code for materials and molecules, efficient, all-electron, up to very large systems. 
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
Machine Learning @machinelearning.bsky.social Interesting ML (machine learning) news, insights, learning opportunities, and more
Gesellschaft Deutscher Chemiker (GDCh) @gdch.de Offizieller Kanal der Gesellschaft Deutscher Chemiker (GDCh). Hier schreibt die GDCh-Öffentlichkeitsarbeit. #chemsky http://gdch.de/impressum.html
Channel of the German Chemical Society (GDCh)
Alán Aspuru-Guzik @aspuru.bsky.social Professor of Chemistry and Computer Science
University of Toronto
Faculty member, Vector Institute
Director, Acceleration Consortium
Senior Director of Quantum Chemistry NVIDIA
My views expressed here are personal and are not those of my employers.
Max-Planck-Gesellschaft @maxplanck.de Official account of the Max Planck Society. Devoted to basic #research in #physics #astronomy #chemistry #biology #earthsciences #materialscience #mathematics #socialsciences and the #humanities; Imprint: https://www.mpg.de/imprint
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/
Carl-Zeiss-Stiftung @carlzeissstiftung.bsky.social Die Carl-Zeiss-Stiftung fördert Wissenschaft und Lehre in den MINT-Disziplinen Mathematik, Informatik, Naturwissenschaft und Technik.
Impressum: https://www.carl-zeiss-stiftung.de/impressum
Luca Bonfirraro @lucabonfirraro.bsky.social PhD Student @mpifkf.bsky.social / Electronic Structure Theory Department
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
Jan Hermann @hrmnn.net Computational chemistry & physics, electrons, deep learning 🚲☕️♟️ Microsoft Research AI for Science · https://hrmnn.net
@profvlilienfeld.bsky.social @profvlilienfeld.bsky.social 
Andrew White 🐦⬛ @andrew.diffuse.one Head of Sci/cofounder at futurehouse.org. Prof of chem eng at UofR (on sabbatical). Automating science with AI and robots in biology. Corvid enthusiast
Philippe Schwaller @pschwllr.bsky.social Assistant Professor at EPFL, ML/AI-accelerated Chemistry & Synthesis | Educating the next generation of chemists and leading a fantastic team (https://schwallergroup.github.io) | Previously IBM Research / Uni Bern / Uni Cambridge / EPFL | he/his
Jan H. Jensen @janhjensen.bsky.social Computational chemist at the University of Copenhagen #compchem
Hannes Stark @hannes-stark.bsky.social MIT PhD Student - ML for biomolecules - https://hannes-stark.com/
Andrew S. Rosen @andrewrosen.bsky.social Assistant Professor at Princeton. Quantum-chemical engineer and materials designer.
https://rosen.cbe.princeton.edu
Cecilia Clementi @cecclementi.bsky.social Scientist & Scuba Diver - I love theoretical physics, sharks, and pygmy seahorses - http://www.instagram.com/clementicecilia - http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi
mia @miarosenfeld.bsky.social machine learning drug discovery scientist @ iambic tx | neuralplexer developer
computational biophysicist, glycoscientist, feminist, jewish, lover of sufjan stevens. she/they 🏳️🌈 ✡︎
📍 sf/nyc
James Kermode @jrkermode.co.uk Professor of Materials Modelling in School of Engineering at University of Warwick, Director of Warwick Centre for Predictive Modelling and EPSRC HetSys CDT. Develop multiscale materials modelling methods and software. warwick.ac.uk/jrkermode
Justin Smith @justinsmith.bsky.social AI for chemistry and materials @ NVIDIA. Views and opinions expressed are my own.
CRC 1333 @crc1333.bsky.social Collaborative Research Center 1333
Molecular Heterogeneous Catalysis in Confined Geometries
www.crc1333.de
Van Slageren Group @agvsl.bsky.social molecular quantum science and technology | EPR | advanced spectroscopy | spectroscopy in catalysis
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
Tristan Bereau @tbereau.bsky.social Interested in biomolecular simulations and machine learning of soft matter and biomolecules. Prof at Heidelberg University
Marco De Vivo @marcodevivo.bsky.social Lab Head & Associate Director at @IITalk. Exec Editor of JCTC (@ACSPublications). Director http://www.cecamsimul.eu. Co-Founder @IAMABiotech. Passionate about science!
Werner Dobrautz @dobrautz.bsky.social DRESDEN-concept Research Group Leader at the Center for Advanced Systems Understanding (CASUS) / HZDR and the Center for Scalable Data Analytics and Artificial Intelligence (ScaDS.AI) / TU Dresden
Christoph Schran @cschran.bsky.social Assistant Professor @ Cavendish Laboratory, University of Cambridge
Group leader of the FAST group: https://www.fast-group.phy.cam.ac.uk/ 
ML for Science @ml4science.bsky.social Cluster of Excellence "Machine Learning: New Perspectives for Science" at University of Tübingen, Germany. Blog: https://www.machinelearningforscience.de/ 
NeurIPS Conference @neuripsconf.bsky.social San Diego Dec 2-7, 25 and Mexico City Nov 30-Dec 5, 25. Comments to this account are not monitored. Please send feedback to townhall@neurips.cc.
Erik Bekkers @erikjbekkers.bsky.social AMLab, Informatics Institute, University of Amsterdam. ELLIS Scholar. Geometry-Grounded Representation Learning. Equivariant Deep Learning.
Jonas Köhler @jonkhler.argmin.xyz web @ https://argmin.xyz
interests: machine learning, ai4science, algorithms, coding
member of technical staff @ https://cusp.ai
past @ MSR, DeepMind, MPI-IS
home @ Heimbach (Gilserberg), Berlin, Europe
born @ 353 ppm
block toxicity
he/him
François Fleuret @francois.fleuret.org Research Scientist Meta/FAIR, Prof. University of Geneva, co-founder Neural Concept SA. I like reality.
https://fleuret.org
Petar Veličković @petar-v.bsky.social Senior Staff Research Scientist, Google DeepMind
Affiliated Lecturer, University of Cambridge
Associate, Clare Hall
GDL Scholar, ELLIS @ellis.eu
🇷🇸🇲🇪🇧🇦
John Chodera @jchodera.bsky.social Achira | http://achira.ai
Research laboratory | http://choderalab.org
Antiviral drug discovery for pandemics | http://asapdiscovery.org
OpenADMET | http://openadmet.org
Employer-mandated disclaimer: http://choderalab.org/disclaimer
Pronouns: he/him
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.
Max Zhdanov @maxxxzdn.bsky.social PhD candidate at AMLab with Max Welling and Jan-Willem van de Meent.
Research in physics-inspired and geometric deep learning.
James Stevenson @allaboutchemist.bsky.social Research engineer for CBRN (chemical, biological, radiological, and nuclear) responsibility at Google DeepMind.
Machine learner and quantum mechanic.
https://orcid.org/0000-0003-0950-7775
Martin Carrasco @martin.topology.rocks ELLIS PhD @ AIDOS - Interested in Geometrical Deep Learning | Topological Deep Learning | Graphs
Julia Gastinger @juliagasti.bsky.social Temporal Knowledge Graphs and Fish Jokes
PhD student at University of Mannheim
Previously Research Scientist at NEC Laboratories Europe and Collaborating Researcher at Mila
(She/Her)
Federico Errica @federico-errica.bsky.social Senior Research Scientist at NEC. PhD in CS @ UniPi, Bayesian Deep Learning for Graphs. Trying to do Science 🔍, not SotA 🥇.
Bussi Lab @bussilab.org Research group lead by @bussigio.bsky.social at SISSA | #RNA, #moleculardynamics, and more | web: http://bussilab.org
Helmholtz Munich @helmholtzmunich.bsky.social The official Bluesky account of the German Research Center for Environmental Health
We discover breakthrough solutions for better health in a changing world!
Website: https://www.helmholtz-munich.de/
Christoph Dellago @chhdellago.bsky.social Physicist, professor @univie.ac.at, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. 🇪🇺
CECAM @cecamevents.bsky.social Promoting fundamental research on advanced computational methods
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/
Chaitanya K. Joshi @chaitjo.bsky.social AI researcher excited about biomolecule design 🧬
PhD student at the University of Cambridge
Prev. at FAIR, Prescient Design, and MRC LMB
📝 https://chaitjo.substack.com
Chris White @chrisawhite.bsky.social CHRISTOPHER A. WHITE is President of NEC Laboratories America. Opinions expressed are my own.
Universität Stuttgart @unistuttgart.bsky.social Intelligente Systeme für eine zukunftsfähige Gesellschaft.
Aktuelles aus der #UniStuttgart
https://www.uni-stuttgart.de/impressum/
Andreas Kirsch @blackhc.bsky.social My opinions only here.
👨🔬 RS DeepMind
Past:
👨🔬 R Midjourney 1y 🧑🎓 DPhil AIMS Uni of Oxford 4.5y
🧙♂️ RE DeepMind 1y 📺 SWE Google 3y 🎓 TUM
👤 @nwspk
Sergey Ovchinnikov @sokrypton.org Scientist, Assistant Professor at MIT biology, #FirstGen
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Andrei Manolache @amanolache.bsky.social ELLIS PhD Student @ IMPRS-IS/Uni Stuttgart; ML Research @ Bitdefender | https://andreimano.github.io/
David Pfau @davidpfau.com So far I have not found the science, but the numbers keep on circling me.
Views my own, unfortunately.
Michael Bronstein @mmbronstein.bsky.social DeepMind Professor of AI @Oxford
Scientific Director @Aithyra
Chief Scientist @ProximaBio
ML Lead @ProjectCETI
geometric deep learning, graph neural networks, generative models, molecular design, proteins, bio AI, 🐎 🎶
Marvin Schmitt @marvin-schmitt.com ⛵️ Research Scientist @ Midjourney
🇪🇺 Member @ellis.eu
🤖 Generative NNs, Deep Learning, ProbML, Simulation Intelligence
🎓 PhD+MSc Computer Science, MSc Psychology
🏡 https://marvin-schmitt.com
Paul Bürkner @paulbuerkner.com Full Professor of Computational Statistics at TU Dortmund University
Scientist | Statistician | Bayesian | Author of brms | Member of the Stan and BayesFlow development teams
Website: https://paulbuerkner.com
Opinions are my own
Simon Batzner @simonbatzner.bsky.social RS at at GDM, Science Team. Prev: Google Brain
Kyle Cranmer @kylecranmer.bsky.social Director Data Science Institute @UWMadison, Professor of Physics,
EiC @MLSTjournal. Physics, stats/ML/AI, open science.
Miles Cranmer @milescranmer.bsky.social AI + Astro/Physics. Assistant Prof at Cambridge.
astroautomata.com/
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
Kevin K. Yang 楊凱筌 @kevinkaichuang.bsky.social Principal Researcher in BioML at Microsoft Research. He/him/他. 🇹🇼 yangkky.github.io
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
Ben Blaiszik @benblaiszik.bsky.social Group Leader - AI and data infrastructure for science at
UChicago/Argonne/Globus - UofIllinois alum. materials, chemistry, physics. Opinions are my own.🤖🔬