Sebastian Nowozin @nowozin.bsky.social Research Scientist at Google DeepMind interested in science.
Views here are my own.
https://www.nowozin.net/sebastian/
Tian Xie @xie-tian.bsky.social Principal Research Manager & Project lead @ Microsoft Research AI for Science; AI for materials; Previously @ MIT, DeepMind, Google X. Views my own.
Yu Xie @yuxie.bsky.social Research Scientist @Microsoft AI for Science. Ph.D @Harvard, B.S. @PKU
Chin-Wei Huang @chinweih.bsky.social AI4science research, density functional theory @ Microsoft Research Amsterdam. PhD on generative modeling, flows, diffusion @ Mila Montreal- B Bálint Máté @balintmate.bsky.social phd student @geneva, ML+physics
https://balintmate.github.io
Rianne van den Berg @riannevdberg.bsky.social Deep learning, computational chemistry, generative modeling, AI for Science. Principal Research Manager at Microsoft Research AI for Science.
Sherry Lixue Cheng @lixuecheng-ai4chem.bsky.social AI4Chem. GitHub: AI4QC. Making computational tools useful. AP @ HKUST CHEM & CBE. Prev: MSR AI for Science Lab, Tencent Quantum Lab. Alumni of Caltech & UW-Madison
@mscherbela.bsky.social @mscherbela.bsky.social 
Wessel @wessel.ai With Cambridge MLG • 📚 Formerly MSFT Research Ams, ATI • GitHub: wesselb
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.
Michael Kreil @michaelkreil.bsky.social 
Filip Titlbach @filiptitlbach.bsky.social Novinář Deníku N. Moderátor podcastu Studio N. Autor knihy Byli jsme tu vždycky.
herohero.co/studion
Mihail Bogojeski @bogojeski.bsky.social Machine learning researcher @ D. E. Shaw Research working on ML for quantum chemistry and drug discovery. Big fan of TTRPGs and bouldering.
@thijsstuyver.bsky.social @thijsstuyver.bsky.social 
Stanislav Fort @stanislavfort.bsky.social AI + security at AISLE | Stanford PhD in AI & Cambridge physics | scientific progress
Elise van der Pol @elisevanderpol.bsky.social Working on machine learning for science and symmetry/equivariance in RL. She/her. Senior Researcher at Microsoft Research Amsterdam. https://www.elisevanderpol.nl/ & https://sigmoid.social/@elisevanderpol
Petr Slavicek @petrslavicek.bsky.social physical and computational chemist with interest in photochemistry, radiation chemistry and X-ray technologies 
Vlado Boza @bozavlado.bsky.social second of his name. Destroyer of ML hype.
I also enjoy making neural networks smaller.
http://kaggle.com/usamec
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
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
Jan Řezáč @jrezac.bsky.social Computational chemist at @iocbprague.bsky.social
Adam Foster @adamefoster.bsky.social Sr Researcher at Microsoft Research AI for Science
Former Oxford Stats PhD in Bayesian Experimental Design
Týdeník Respekt @respektcz.bsky.social ⚫️ Liberální, kritické médium, které věří ve svobodu lidského ducha a nutnost pochybovat při jejím každodenním naplňování.
✌️ Založeno v listopadu 1989
🔗 respekt.cz/social
Julia Westermayr @jwestermayr.bsky.social Assistant Prof. for machine learning in theoretical chemistry at Leipzig University & passionate runner
Tobias Schäfer @tschaefer-sc.bsky.social FWF ESPRIT fellow, Computational Materials Physics from First Principles, Quantum Chemistry (under periodic boundary conditions) | Vienna University of Technology
Website: sites.google.com/view/schaeferlab
🚀 Anders S. Christensen @andersx.bsky.social Coding, machine learning, quantum mechanics, and molecules!
Lead Machine Learning Researcher 🐑 Iambic Therapeutics, Inc.
Yair litman @yairlitman.bsky.social (Electrified) Aqueous interfaces | Vibrational Spectroscopy | Rate Theories | Quantum dynamics
Group Leader of the STREAM group at @MPIP-mainz.mpg.de
Bingqing Cheng @chengbingqing.bsky.social Computational Materials Science. Assistant Professor at UC Berkeley. 
Ice Group Cambridge @ice-group-cam.bsky.social We are a research group in the Chemistry department at the University of Cambridge working on atomistic computer simulations of (mainly) aqueous systems.
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
James Spencer @jss43.bsky.social 
CECAM @cecamevents.bsky.social Promoting fundamental research on advanced computational methods
Paola Gori Giorgi @paolagorigiorgi.bsky.social Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
Erik Tabery @etabery.bsky.social Editor in Chief of Weekly Respekt
Daniel Zuegner @danielzuegner.bsky.social Senior Researcher @msftresearch.bsky.social #AI for #Science.
Past: PhD @ TUM, internships @ Amazon AWS, Spotify.
Amateur Photographer in my free time.
@carbogno.bsky.social @carbogno.bsky.social 
Michał Tomza @michaltomza.bsky.social Quantum Physicist, Ultracold group leader, Professor at the University of Warsaw
Vahideh Alizadeh @vahidehalizadeh.bsky.social 
Ziheng Lu @zihenglu.bsky.social Principal researcher & project lead @ Microsoft Research; Deep Learning; Materials Science; Cats; Views are mine.
Jigyasa Nigam @jnigam.bsky.social Postdoc @mit.edu, curious physicist unraveling the unknown #openscience👩🔬📚 Prev: @labcosmo.bsky.social EPFL
Ben Miller @bkmi.bsky.social FAIR Chemistry. Simulation-based Inference.
Krzysztof Maziarz @maziarz.bsky.social Principal Researcher at Microsoft Research AI for Science, ML for Drug Discovery, ex Google AI & tensorflight
Simon Olsson @smnlssn.bsky.social Associate Professor at Chalmers. AI for molecular simulation and inverse design. WASP Fellow. ELLIS Member. https://userpage.fu-berlin.de/solsson/
Philipp Marquetand @marquetand.bsky.social Machine learning for different domains ranging from graphic design to chemistry.
@parisperdikaris.bsky.social @parisperdikaris.bsky.social 
David Williams-Young @dbwy-science.bsky.social #HPC | #CompChem | Applied Math
Principal SWE @ Microsoft Quantum
ex-LBNL, PhD @ UW
Thoughts are my own.
Juan Felipe Carrasquilla Alvarez @carrasqu.bsky.social ETH Zurich 🇨🇦 🇨🇴
Robert Pinsler @rpinsler.bsky.social AI for materials design at Microsoft Research AI for Science | Prev. University of Cambridge. Views are my own.
Anouar Benali @anouarb.bsky.social Computational Scientist focused on high accuracy electronic structure methods on HPC (QMC and sCI).
After more than a decade as a Science Lead at Argonne National Laboratory, I now Lead a Research Team at Qubit Pharmaceuticals.
Jannes Nys @jannesnys.bsky.social Postdoc working on computational quantum physics @ethzurich. Former @EPFL_en, @imec_int, @ugent. PhD in theoretical hadron physics.
Jens Eisert @jenseisert.bsky.social Scientist, professor of quantum physics at Freie Universität Berlin and affiliated with Helmholtz Center Berlin and the Fraunhofer Heinrich Hertz Institute. ERC Fellow.
Giuseppe Carleo @gppcarleo.bsky.social Computational Quantum Physicist - EPFL Lausanne, Switzerland 
marcel ⊙ @marceldotsci.bsky.social Trying to build better machine-learning surrogate models for DFT. Postdoc @ COSMO Lab (EPFL) 👨🏻🚀.
https://marcel.science
DePrince Lab @deprincelab.bsky.social https://deprincelab.github.io/
Stefano Martiniani @stemartiniani.bsky.social Asst. Professor of Physics, Chemistry, Mathematics, Neural Science at NYU | Simons Foundation Faculty Fellow | Open Science http://colabfit.org
martinianilab.org
Taco Cohen @taco-cohen.bsky.social Deep learner at FAIR. Into codegen, RL, equivariance, generative models. Spent time at Qualcomm, Scyfer (acquired), UvA, Deepmind, OpenAI.
Kjell Jorner @valencekjell.com Assistant Professor of Digital Chemistry at @ethzurich.bsky.social. Making chemistry more sustainable within NCCR Catalysis. Views my own.
https://dcl.ethz.ch
https://www.valencekjell.com
Megan Stanley @megstanley.bsky.social Microsoft Research AI for Science, previously physics @ Cambridge. views my own
Johannes Brandstetter @jobrandstetter.bsky.social Co-Founder & Chief Scientist @ Emmi AI. Ass. Prof / Group Lead @jkulinz. Former MSFTResearch, UvA_Amsterdam, CERN, TU_Wien
John Parkhill @johnparkhill.bsky.social Senior director of machine learning @ Terray Therapeutics (https://www.terraytx.com/). Father. NSF CAREER award giver-upper. Gibe and gambol enjoyer. Refugee from https://x.com/j0hnparkhill. http://bbgky.net
Hannes Stark @hannes-stark.bsky.social MIT PhD Student - ML for biomolecules - https://hannes-stark.com/
Mohammed AlQuraishi @moalquraishi.bsky.social MLing biomolecules en route to structural systems biology. Asst Prof of Systems Biology @Columbia. Prev. @Harvard SysBio; @Stanford Genetics, Stats.
Kim Jelfs @jelfschem.bsky.social Professor in Computational Materials Chemistry at Imperial College (she/her).
Michele Invernizzi @invemichele.bsky.social Computational physicist at https://peptone.io
PhD @GroupParrinello, PostDoc @franknoe.bsky.social
Disordered Proteins, AI for Science, Molecular Dynamics, Enhanced Sampling
🔗 https://scholar.google.com/citations?user=fnJktPAAAAAJ
@wellingmax.bsky.social @wellingmax.bsky.social 
Nicholas Gao @n-gao.bsky.social PhD Student @TU_Munich
Machine Learning for Quantum Chemistry
Former: Intern @MSFTResearch AI4Science & Intern @NasaAmes
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 🇳🇱🇪🇺🇬🇧
Aron ⇋ e⁻ @aronwalsh.github.io Virtual Chemist; Liúdramán; Personal Opinions
@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
Mariana Rossi @mahrossi.bsky.social Brazilian, mother, scientist. Living in Hamburg. Surviving in science ;-)
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. 
Claudio Zeni @claudiozeni.bsky.social Applying machine learning to challenges in materials science.
Senior Researcher at Microsoft research AI for Science.
Views are my own
https://claudiozeni.pages.dev/
Mohamad Moosavi @mohamadmoosavi.bsky.social Asst. Prof. of Chemical Engineering at the University of Toronto| #AI4Science, #MachineLearning and #AI for the Chemical Sciences
Peter Knowles @cwantwm.bsky.social Quantum chemist at Cardiff
Christoph Jacob @christophjacob.eu Professor for Theoretical Chemistry at TU Braunschweig
http://www.christophjacob.eu
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).
Ganna (Anya) Gryn’ova 🇺🇦 @grynova.bsky.social Associate Professor of Computational Chemistry, University of Birmingham
https://www.grynova-ccc.org/
views my own
Sebastian Dick @semodi.bsky.social Machine learning researcher and engineer @ D. E. Shaw Research. QM and ML force fields.
Mohsen Sadeghi @mohsensadeghi.bsky.social computational physicist, pretending to do bio/neuro stuff.
Staff Scientist at @zuseinstitute.bsky.social
Opinions expressed are solely my own.
https://mohsensadeghi.github.io
https://linkedin.com/in/drmohsensadeghi
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
Sijia Dong @sijiadong.bsky.social Assistant Professor of Computational/Theoretical Chemistry @Northeastern University (Boston) | https://sdonglab.org | Twitter: @sijia_dong
Miles Cranmer @milescranmer.bsky.social AI + Astro/Physics. Assistant Prof at Cambridge.
astroautomata.com/
Ryota Tomioka @ryotat.bsky.social Researcher at Microsoft Research AI for Science
https://scholar.google.co.uk/citations?user=TxdeO-UAAAAJ&hl=en
John Gardner @jla-gardner.bsky.social ML for Potential Energy Surfaces
PhD student at Oxford
Former Microsoft AI4Science Intern
Rhys Goodall @rhysgoodall.bsky.social Born 362 ppm.
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
Francine Sole-Mauri @cina-sole-mauri.bsky.social I love #math, #books, and #data. I used to be someone who no longer exists, and now I’m just trying to fight biases (probably a lost cause) & trying to solve for x -where x = my way. Lecturing maths & guiding #digitaltransformation to pay the bills
Jose Jimenez-Luna @jjimenezluna.bsky.social Senior researcher @msftresearch.bsky.social - views my own | ∇⌬ | De sevillanas manners 💃
Derk Kooi @derkkooi.bsky.social Senior Researcher @ Microsoft Research AI for Science
Bestuurslid @kwakzalverij.nl
Rabbit fan
Lost quantum chemist working in AI
Views are my own and do not necessarily reflect those of my employer!
Johannes Flick @jflick.bsky.social @CityCollegeNY and @FlatironCCQ
Gianni De Fabritiis @gdefabritiis.bsky.social Computer Simulations, Computational Intelligence, AI.
Research professor and interim CEO acellera.com.
Lab: www.compscience.org
Scholar: https://scholar.google.com/citations?hl=en&user=-_kX4kMAAAAJ&view_op=list_works&sortby=pubdate
Nicholas Hine @nickhine.bsky.social Professor of Physics, Head of Theoretical Physics Cluster, University of Warwick. Large-scale electronic structure (LS-DFT), 2D materials, theoretical spectroscopy, developer of ONETEP and ESTEEM.
Frank Noe @franknoe.bsky.social Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
Adil Kabylda @kabylda.bsky.social PhD Researcher in Tkatchenko Group @uni_lu / #LINO22 / BSc and MSc in Chemistry @MSU_1755 @QPD_Lab / Pavlodar KZ 🇰🇿
kabylda.github.io
Geoff Hutchison @geoffhutchison.net Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop Avogadro + OpenBabel to find new materials for energy applications @Pitt_Chemistry he/him
Michal Kolář @mhko.bsky.social Biophysicist based in Prague, CZE. Interested in ribosomes, conformational disorder, and computation. Volunteer in @czexpats.bsky.social, Editorial Board Member of @commsbio.nature.com. Likes traveling by train, dislikes tomatoes.
https://kolar.vscht.cz
Pablo del Mazo @pablomazo.bsky.social Assistant Professor at University of Salamanca.
Chemistry + AI
https://pablomazo.github.io/
Andreas Mardt @andreasmardt.bsky.social ML for drug discovery, protein dynamics, medical image analysis, PhD, Max-Delbrück Center Berlin
Grant Hill @dr-ghill.bsky.social Theoretical chemist. Research interests in optimisation (basis sets) and using AI/ML in sustainable chemistry
Teaching interests in digital chemistry and active learning