Theoretical Chemical Physics Group @tcpunilu.bsky.social Theoretical Chemical Physics Group of Prof. Alexandre Tkatchenko at the University of Luxembourg tcpunilu.com
@ai4smeng.bsky.social @ai4smeng.bsky.social 
PhysChemAadhil @dil-exe.bsky.social Science. Humanity.
IMDEA Nanoscience, Madrid
Juha Siitonen @juhesiit.bsky.social Assistant professor of organic chemistry at Aalto University. Total synthesis, weird nitrogen species, theoretical chemistry, and education. He/Him.
Prior: Rice Univ. 🇺🇸, Lund Univ. 🇸🇪, Univ. of Jyväskylä. 🇫🇮
Website: https://etosgroup.fi/
Materials Advances @materialsadvances.rsc.org
A multidisciplinary journal focusing on high quality research across the breadth of materials science.
Published by @rsc.org 🌐 Website: rsc.li/materialsadvances
Leticia Madureira @leticia-madureira.bsky.social PhD candidate and TA at Carnegie Mellon. Computational Chemist. Julia/Rust developer in Scientific Computing tools. 🤓 💻🧪⚛️✝️
Austrian Scientific Computing (ASC) @asc.ac.at Formerly known as Vienna Scientific Cluster (VSC)
https://asc.ac.at
• Most powerful supercomputers in Austria
• Research, education, user support
• HPC & AI training: https://events.asc.ac.at
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
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
Philipp Marquetand @marquetand.bsky.social Machine learning for different domains ranging from graphic design to chemistry.
Paola Gori Giorgi @paolagorigiorgi.bsky.social Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
Andrew S. Rosen @andrewrosen.bsky.social Assistant Professor at Princeton. Quantum-chemical engineer and materials designer.
https://rosen.cbe.princeton.edu
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
Jarvist Moore Frost @jarvist.bsky.social To physicists: a chemist. To chemists: a physicist. To mathematicians: an empty set.
RSURF & Lecturer, Imperial College London.
Computational chemist / physicist.
Photovoltaics, batteries, antibacterial peptides; lasers, cryostats, (ML)(Q)MC/MD/TB/DFT.
Jan H. Jensen @janhjensen.bsky.social Computational chemist at the University of Copenhagen #compchem
Ganna (Anya) Gryn’ova 🇺🇦 @grynova.bsky.social Associate Professor of Computational Chemistry, University of Birmingham
https://www.grynova-ccc.org/
views my own
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.
Kim Jelfs @jelfschem.bsky.social Professor in Computational Materials Chemistry at Imperial College (she/her).
Laura Gagliardi @gagliardilaura.bsky.social Professor at the University of Chicago. Previously at U Minnesota and U Geneva. From Italy. I value a culture of diversity and solidarity.
https://gagliardigroup.uchicago.edu/
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
@profvlilienfeld.bsky.social @profvlilienfeld.bsky.social 
Frank Noe @franknoe.bsky.social Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
Tim Gould @timgouldsci.bsky.social @timgould_scienc on twitter
Andreas Bender @andreasbender.bsky.social Cheminformatics, bioinformatics, drug discovery, computational life sciences etc - for more information please see https://andreasbender.de
Proud editor of the 'Cambridge Cheminformatics Newsletter' - please see https://www.drugdiscovery.net 
@scanlond81.bsky.social @scanlond81.bsky.social 
Lisa Pecher @lisipea.bsky.social Coordinating manager of @gdch.de divisions | Formerly @angewandtechemie.bsky.social | PhD in computational chemistry | DE&I advocate | musician | nerdy about tea, board games, synthesizers, and sci-fi | 🏳️🌈 she/her (views are my own)
Materials Research Society @materials-mrs.bsky.social #sciencecommunity of #materialsscience #materialsresearch #engineering #technology #science #nanotech #quantum #AI #robotics #biotech and more! Explore MRS.org
CECAM @cecamevents.bsky.social Promoting fundamental research on advanced computational methods
Miranda-Quintana group @groupquintana.bsky.social RamO(N) Miranda Quintana
Theoretical and Computational chemistry
https://quintana.chem.ufl.edu/
#chemsky #compchemsky
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
M. Rodríguez-Mayorga @marm314.bsky.social Postdoctoral researcher @LCPQ
Theoretical Chemist #compchem
https://drmarm314.wordpress.com/2019/03/26/index/
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.
Anne Vázquez @annevazquez.bsky.social Environmental chemistry and chemical education research.
Assistant Professor of Chemistry at St. John's University.
Queens, NY
Pronouns: she/her
Alexandria Ocasio-Cortez @aoc.bsky.social Waitress turned Congresswoman for the Bronx and Queens. Grassroots elected, small-dollar supported. A better world is possible.
ocasiocortez.com
AIP Publishing @aip-publishing.bsky.social Highly cited, highly respected, and highly relevant, AIP's archival journals are the cornerstone of many #physics collections. https://pubs.aip.org/
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
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. 
Florian Marquardt @fmarquardtgroup.fediscience.org.ap.brid.gy Theoretical Physicist at @MPI_ScienceOfLight. This is the account of my research group. Topics include #machinelearning for (#quantum) #physics […]
🌉 bridged from ⁂ https://fediscience.org/@FMarquardtGroup, follow @ap.brid.gy to interact
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
Materials Horizons @materialshorizons.rsc.org Materials Horizons, leading journal for the publication of exceptionally high quality, innovative materials science.
Published by @rsc.org 🌐 Website: rsc.li/materialshorizons
RSC Advances @rscadvances.rsc.org An international journal at the heart of open access for the global chemistry community.
Published by @rsc.org 🌐 Website: rsc.li/rscadvances
Beilstein-Institut @beilstein-institut.bsky.social A charitable foundation supporting the communication and dissemination of information in #chemistry and related disciplines.
We support #OpenScience projects – #DiamondOA publishing, standards, events, cheminformatics
https://www.beilstein-institut.de/en
CrystEngComm @crystengcomm.rsc.org Updates on the chemistry and engineering of crystals and polymorphism.
Published by @rsc.org 🌐 Website: rsc.li/CrystEngComm
New Journal of Chemistry @newjchem.rsc.org A journal for new directions in chemistry, owned by the CNRS and co-published with @roysocchem.bsky.social
🌐 Website: rsc.li/newjchem Published by @rsc.org
PsiQuantum @psiquantum.bsky.social Building the world’s first useful quantum computers.
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. 
Chemical Science @chemicalscience.rsc.org Flagship journal for @rsc.org. Open access, all topics in chemistry. chemicalscience-rsc@rsc.org 🌐 Website: rsc.li/chemscience
PalmaLab @palmalab.bsky.social @CAPalma.bsky.social Lab for Atomic-scale #Quantum #Nanomaterials @HUBerlin and Atomically-Precise Molecular Architecture Devices at Interfaces @UCAS #ChemicalPhysics #ChemPhys #Physics #Chemistry #SurfaceScience http://palmalab.org ex- #SciTwitter
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/
Peter Weinberger @vie-ny.bsky.social Univ.-Prof., Theoret. Physik (u.a.: TU-Wien, NYU, U Paris-Sud), Verfasser zeitgeschichtlicher und literarischer Bücher, sowie Organisator des Kammermusikfestivals Wien. Lebt in Wien und in New York.
https://www.pwein.at
Martin Vondrak @mvondrak.bsky.social Let me sleep
Bingqing Cheng @chengbingqing.bsky.social Computational Materials Science. Assistant Professor at UC Berkeley. 
Julia Westermayr @jwestermayr.bsky.social Assistant Prof. for machine learning in theoretical chemistry at Leipzig University & passionate runner
Bettina Lier @bettinalier.bsky.social #compchem PhD candidate @mms-boku.bsky.social, Vienna
into science, music, handlettering, macro/tele photography, mechanical keyboards, (board) gaming & linux ricing
Prateek Ahuja @prateekahuja.bsky.social Computational Chemist, Ph.D.
Chris Taylor @dftchemist.bsky.social Comp chemist/mat sci, applied science director, and assoc research professor. Enthusiast about all things Quantum, Star Wars, Sustainability, Chemistry, and Corrosion. Views my own.
Sam Blau @samblau.bsky.social Research scientist & computational chemist at Berkeley Lab using HT DFT workflows, machine learning, and reaction networks to model complex reactivity.
Massimo Delle Piane @massimodellepiane.bsky.social Assistant professor (RTDb) in Theoretical Physics of Matter
Department of Applied Science and Technology (DISAT)
Politecnico di Torino, Italy
https://www.gmpavanlab.com
Aleksei Ivanov @aleksei-quantum.bsky.social Scientist working in the field of computational quantum chemistry and physics. More recently, I’ve started exploring quantum computation for electronic structure calculations. 
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
@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
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
Erick Alves @erickhalves.bsky.social Master Student in Computational Chemistry 🧪🖥️
Photocatalysis and Mechanistic Determination 🧩
@iq_usp
@IQUSP
🇧🇷
Michiel van Setten @mjvansetten.bsky.social principal scientist at imec
first principles research on semiconductors
father, husband, bassoonist, aikidoka, equestrian
Kutand Alkım Bayer @kutandalkim.bsky.social IZTECH-Chemistry, I like to be Polymath(learning different subjects), Polygot(interested in the learning different languages) comments and opinions are my own RT≠ is not endorsement (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 😽
@janbrossette.bsky.social @janbrossette.bsky.social PhD student in the Zipse Group at LMU Munich, specializing in computational chemistry, primarily focused on organic systems.
Christoph Dellago @chhdellago.bsky.social Physicist, professor @univie.ac.at, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. 🇪🇺
Verena Neufeld @vneuf.bsky.social Quantum chemist, Postdoc at Caltech 
Benjamin Shi @benshi.bsky.social Computational material scientist at Flatiron Institute
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
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
Jan Hermann @hrmnn.net Computational chemistry & physics, electrons, deep learning 🚲☕️♟️ Microsoft Research AI for Science · https://hrmnn.net
Dennis Meier @demeier.bsky.social Prof. at the University Duisburg-Essen and Adj. Prof. at NTNU, President of the European Magnetism Association, Editorial Board Communications Physics
Omid Shayestehpour @omidshy.bsky.social computational chemist • postdoc @unipaderborn.bsky.social • accelerating ab-initio simulations with machine learning
"The purpose of computing is insight, not numbers."
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
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
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 🇳🇱🇪🇺🇬🇧
Leopoldo Mejía @leopoldo-mejia.bsky.social Assistant Professor of Physics at UNAB (Chile) • Theoretical Chemistry • https://leopoldo-mejia.github.io/
Ida-Marie Høyvik @idamaho.bsky.social Associate Professor in Theoretical Chemistry at the Norwegian University of Science and Technology (NTNU)
Ashok Kumar @akbansal1991.bsky.social Computational Chemistry, India
https://x.com/AKBansal1991
https://www.linkedin.com/in/akbansal1991
Piero Gasparotto @pgaspa.bsky.social AI4Science @ Microsoft Quantum
Michele Ceriotti @micheleceriotti.bsky.social Italian in Switzerland, @lab_COSMO PI. Husband of one, father of three. Increasing the entropy of the universe since 1982.
Manuel Ortuno @chemortuno.bsky.social Computational chemist working on catalysis #compchem
(homogeneous and #MOFs #COFs) at @ua.es
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
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
Diptarka Hait @fullcialchemist.bsky.social Theoretically, chemist. Asst. Prof. of Chemistry, Columbia University and Associate Research Scientist, Flatiron Institute. https://haitgroup.com/
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
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.
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!"
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
Dongfang Cheng @dfcheng.bsky.social 
Bluesky @bsky.app official Bluesky account (check username👆)
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