Goldschmidt Conference @goldschmidt-confer.bsky.social Goldschmidt 2027 will be held in Paris, France on 11-16 July 2027. https://conf.goldschmidt.info/goldschmidt/2027/meetingapp.cgi
The Goldschmidt Conference is organized by the European Association of Geochemistry and the Geochemical Society.
Emily V. McNeill @emilyvmcneill.bsky.social Electrical design engineer with a Masters in Sustainability Solutions. Degree in Anthropology and certificate in GIS. Currently studying Astrobiology at ASU with a special interest in glacial extremophiles. Anyone want me for an expedition to Antarctica?
James Scott @dftheodicy-jscott.bsky.social Computational Chemist/ Chemical Physicist.
Currently Postdoc @ Kyoto University Packwood Group.
Radhey Shyam Yadav @radhey-yadav.bsky.social |Computational Chemist | Materials modeling |Electro catalysis | DFT & ML | Postdoc at Chalmers University of Technology, Sweden |
Sofia Kiriakidi @s0fk1.bsky.social Computational Chemist 👩💻
Drug Design, Catalysis, DFT, MD |
@horizoneu.bsky.social MSCA Fellow at NovaMechanics Ltd, 🇨🇾
Kihara Laboratory @kiharalab.bsky.social Bioinformatics, protein modeling, cryoEM, drug screening, function prediction. Daisuke Kihara, professor of Biol/CS, Purdue U. https://kiharalab.org/ YouTube: http://alturl.com/gxvah 
Chas McGill @chas-mcgill.bsky.social Asst Prof in Chemical Engineering @VCU. Formerly postdoc @MITChemE. Machine learning and computational chemistry research.
mcgillresearchgroup.com
Jorge Escorihuela @joresfu.bsky.social Associate Professor (University of Valencia 🇪🇸)
Computational chemistry and photocatalysis
Yizhou Yang @yizhouy.bsky.social PhD, Chemist, Material Science, PI, Assistant Professor at Chalmers University of Technology
Jordan Shivers @jordanlshivers.bsky.social computational soft matter & biological physics
jordanshivers.github.io
Alexandrova Lab @alexandrovalab.bsky.social A group of computational chemists at UCLA. We study catalysts, materials, and complex (bio)molecular systems (and make them better!).
Student-run account.
https://alexandrova.chem.ucla.edu/
Matt Hartings @matthartings.bsky.social Chemist (Food, 3D printing), Professor (American University), Author (Chemistry in Your Kitchen)
@danihares.bsky.social @danihares.bsky.social Computational Chemist @ Francis Crick Institute. #WomenInSTEM
📍 London, UK.
David Abuín Eichinger @davideichinger.bsky.social I enjoy playing with family, reading science fiction and history, gardening, board games, and hiking. I'm a father, husband, Navy veteran, and graduate student studying Robotics at George Mason University.
Mastodon: https://scicomm.xyz/@David
Prathith Bhargav @prathithb.bsky.social PhD Student at UC Irvine | BS-MS from IISER Pune.
🖥💻👨💻Biophysics | Science Education
Radoslav Krivak @rdkbio.bsky.social 🧬 Structural Bioinformatics | 💊 AI/ML for Drug Discovery | Geometric DL
🔬 @iocbprague.bsky.social, prev. PhD @cusbg.bsky.social @mff.unikarlova.cuni.cz
Andrew Surman @andrewjsurman.bsky.social Chemist from the top left of Europe. PI/Senior Lecturer at KCL, South London. "Muy inglés". This'll be mainly work-related (personal account/the usual caveats). www.surmanlab.com
Neil Withers @neilwithers.bsky.social Features Editor for Chemistry World, Twitter refugee. Tractor fan
Gav Armstrong @nchemgav.bsky.social Chief Ed @naturechemistry.bsky.social (handling physical stuff) #science #chemistry #publishing - Live #Calderdale, work London. No time for hobbies until my kids grow up ….
Lucas Lang @llangresearch.bsky.social Junior Research Group Leader (Theoretical Chemistry) at TU Berlin.
Gerard Comas-Vila @gerardcomas.bsky.social PhD in computational chemistry at IQCC
Patrick van der Wel @pcavanderwel.bsky.social Solid-state NMR, Zernike Institute, university of Groningen. Posts = personal. Spectroscopy, biochemistry, structural biology, amyloid &
condensates, Huntington disease, membrane biophysics, biomaterials etc
NSF Center for Computer Assisted Synthesis (C-CAS) @nsf-ccas.bsky.social Using quantitative, data-driven approaches to make synthetic chemistry more predictable. Phase II CCI #NSFFunded
🌐 https://ccas.nd.edu/
📷 https://www.instagram.com/nsf_ccas/
LigandintheLoop @ligandintheloop.bsky.social I'm a pharmaceutical chemist working at the interface of cheminformatics, molecular modeling, and machine learning. All views are my own.
https://ligandintheloop.blogspot.com/
Sarah Hörst @planetdr.bsky.social Professor of planetary science at Johns Hopkins. Titan’s biggest fan. Pomeranian wrangler. Runner. Love many, trust few, always paddle your own canoe. She/her. sarahhorst.com
Planetdr.26 on signal
WilhelmssonLabChalmers @wilhelmssonlab.bsky.social Fluorescence, RNA, DNA, RNA therapeutics, spectroscopy, microscopy, optical tweezers, nucleic acid conformation and dynamics- C Chemist @chemistchemist.bsky.social
Sadig Aghazada @sadigaghazada.bsky.social Asst. Prof. of Inorganic Chemistry at the University of Bern
Thomas Heine @thomasheine.bsky.social Theoretical chemist, cosmopolitan and connoisseur. These are my personal views.
Miquel Solà @miquelsola.bsky.social Theoretical and computational chemist, University of Girona, supporter of Girona FC and Barcelona FC, like to play tennis and footbal and hiking.
The Amsterdam Modeling Suite (SCM) @ams-software.bsky.social Our heart is in Amsterdam, our team is global. At SCM, passionate scientists develop AMS, a powerful suite for computational chemistry & materials science. From spectroscopy to chemical processes, AMS covers quantum mechanics to fluid thermodynamics.
Alessandra Candian @donnainfiorino.bsky.social Assistant Prof. at @api.uva.nl in Amsterdam | Astrochemistry | Carbon Molecules & Dust | Titan | Interdisciplinary Education | #EDI | WiF board @wif.bsky.nl | #OpenScience | Working Mum | Lazy Runner | opinions my own 
Matthias Bickelhaupt @fmbickelhaupt.bsky.social 
Rocío Mercado Oropeza @rociomer.bsky.social Assistant professor in Data Science and AI at Chalmers University of Technology | SciLifeLab Group Leader | PI for AI lab for Molecular Engineering (AIME) | ailab.bio | rociomer.github.io
Patrick Melix @patrickmelix.bsky.social Dad | Aspiring Scientist | Theoretical Chemist at Leipzig University | Some Other Things | patrickmelix.de
M. Rodríguez-Mayorga @marm314.bsky.social Postdoctoral researcher @LCPQ
Theoretical Chemist #compchem
https://drmarm314.wordpress.com/2019/03/26/index/
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
Morgan Cable @starsarecalling.bsky.social Planetary scientist searching for life and interesting chemistry in the solar system and beyond. The stars are calling and we must go!
Larry Miller, PhD @larrymillerphd.bsky.social Biochemist 🧪| Helping Life Scientists & Sci Communicators Translate Expertise into Career Opportunity | UCLA PhD + NIH Alum | Pharma R&D @GSK + @AstraZeneca 💊 | #SciComm Director ✍️|Career Coach | Star Trek | Sherlock Holmes | 🎹 | https://larrymillerphd.com
Joseph Moran @moranlabchem.bsky.social Organic chemist interested in the origins of life. Moranlab.com
🇨🇦 CRC1 and Prof @uottawa.ca
🇫🇷 part-time @unistra.fr
Simon Lichtinger @simonlichtinger.bsky.social Computational biophysicist - enhanced sampling molecular dynamics, membrane proteins, computer-aided drug discovery
Further interests in philosophy of science, science communication and jazz music
Anja-Verena Mudring @anjamudring.bsky.social 
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.
Alex Pixler @aspixler.bsky.social (He/Him) Postdoctoral computational chemist interested in metal-metal bonding, inorganic aromaticity, f-elements, and superheavies. Passionate about inorganic/organometallic chemical education and increasing accessibility. #compchem #radiochem
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
Aman Jindal @rubaman.bsky.social Computational Chemistry Postdoc at Ruhr University Bochum, Germany
Zachary J. Knepp @zachary-j-knepp.bsky.social Assistant Professor of Chemistry at Alfred University
Dr. Dave Scott @greaterscott.bsky.social Structural biology and Biophysics at the University of Nottingham and Research Complex at Harwell (UK).
Academic and writer of papers and grants with modest success.
Happy collaborator and always available to chat science.
He/him.
Michael K Gilson @bmix.bsky.social Prof at UC San Diego's Skaggs School of Pharmacy and Pharmaceutical Sciences.
Concepts, tools and methods: stat thermo of binding. GIST. BindingDB. Open Force Field. Other stuff...
Does some ceramics, i.e., potters around.
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
Art Winter @arthurhwinter.bsky.social Morrill Professor of Chemistry at Iowa State
Dan Gezelter @gezelter.bsky.social Thinks about chemical education, theoretical chemistry, open science, molecular dynamics, and ice. The first “Dr. Who” for the Jmol team, Bagpiper, Dad. Chemistry Professor & Department Chair @ University of Notre Dame. Posts are my own.
Igor Roncevic @ironcevic.bsky.social Lecturer (Assistant Prof) in Chemistry at the University of Manchester, using computers to look at organic conjugated stuff
Tim Duignan @timothyduignan.bsky.social Researcher at Orbital Materials. Working on molecular simulation with ML for chemical engineering applications.
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
Krishnendu Bera @krishnendubera.bsky.social PostDoc @the-gold-lab.bsky.social, @exeter.ac.uk 🇬🇧
Former PostDoc @Magistratolab.bsky.social, CNR-IOM @SISSA, Italy 🇮🇹
PhD @CEITEC.eu @masarykuniversity.bsky.social, Czechia 🇨🇿
CryoEM/ET🔬🦠MD Simulation, IDP/IDR, MetaD, AI/ML👨💻
Details: https://h1.nu/1tsfv
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 ♓️🏳️🌈)
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
Tony Osborne @tony-osborne.bsky.social Theoretical chemistry PhD student | UC Merced
Member of DSA-NCV |UAW4811
Amateur in many things that I have a slightly more than passing interest in and fairly decent home cook/baker
Henrik Ottosson @henrikottosson.bsky.social Physical organic chemist at Uppsala University, Sweden, with additional interests in urban science and sustainability. Special research focus on excited state aromaticity & antiaromaticity effects, both the fundamental and applied aspects. 
Bannwarth Lab @bannwarthlab.bsky.social Theoretical Chemistry Research Group @ RWTH Aachen University
https://ipc.rwth-aachen.de/Bannwarth
André Melo @cxhxmand.bsky.social Chemistry PhD. Theoretical Chemistry | Computational Chemistry | Electron Transfer and Redox Processes.
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
Daniele Fazzi @dfazzi82.bsky.social Materials modelling, physical-chemistry, theoretical chemistry, soft materials
Anton Frisk Kockum @antonfkockum.bsky.social Quantum physicist (associate professor) at Chalmers University of Technology. Angel investor. Chess player and coach.
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
Advanced Modelling Lab ⌬💻 @manuelmellelab.bsky.social 💻 Simulations of properties for most materials and molecules:
💡If you can make them, we can probably simulate them!
The Pilarski ResearC···H Group @pilarskigroup.bsky.social Organic synthesis | Methodology | Catalysis | C–H functionalization | Arynes ⬢ Mechanochemistry ⛬ Dept. of Chemistry – BMC, Uppsala University, Sweden. 
Mohammad Elious @mdeliousali.bsky.social PhD student in Huo Group at University of Rochester. My research is simulation of quantum dynamics and spectroscopy for condensed phase systems.
Ladislav Bartos @ladme.bsky.social Doing computational biochemistry and scientific software development at CEITEC, Masaryk University.
github.com/Ladme
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.
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
H. K. KHARTABIL @khartab.bsky.social 🇫🇷Theoretical & Computational Chemist ⚛️🧪🖥️🧬| #CompChem | #CompBio | #HPC | #ChemSky | #CompChemSky| #University | #Chemistry | #BioChemistry | #ESR | #URCA | #ComESR | #VeilleESR | #VeilleEN
Personal account💻📱
🧐Reposts are reflections, not endorsements🤔
Max Bonomi @bonomimax.bsky.social Head of Computational Structural Biology Lab @pasteur.fr. ERC-CoG 2022. Research Director DR2 @cnrs.bsky.social. Founder/developer @plumed.org
Petr Slavicek @petrslavicek.bsky.social physical and computational chemist with interest in photochemistry, radiation chemistry and X-ray technologies 
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
Kyle Grice @gricechemistry.bsky.social Inorganic Chemistry, Teaching and Research, Organometallics, Electrochemistry, Catalysis. He/Him/his. https://sites.google.com/site/drkyleagrice/
Doug Collins @earthmechanic.bsky.social Atmospheric and Analytical Chemistry. Mass Spectrometry. Indoor air. Air-sea interface. Multiphase chemistry. Asst Prof at Bucknell Univ. #chemsky #academicsky #TeamMassSpec
Juan-Pablo Correa-Baena @jpcorreabaena.bsky.social Associate Prof at Georgia Tech. Low-cost semiconductors #solar #optoelectronics. Previously: UConn -> EPFL -> MIT. Opinions my own. He/his
Prof. Graeme Watson @graeme-w-watson.bsky.social Chair of Theoretical Chemistry and Head of the School of Chemistry at Trinity College Dublin
Ferran Acuña-Parés @fap89.bsky.social PhD in Computational Chemistry. Associate Professor and Researcher at UNIR. Catalysis • Bioinformatics
Abdellah @abdelibra.bsky.social Organometallic, organic Chemist, junior Professor at Lorraine University, France 
Julia Westermayr @jwestermayr.bsky.social Assistant Prof. for machine learning in theoretical chemistry at Leipzig University & passionate runner
Arun Nissimagoudar @arunnissimagoudar.bsky.social Computational Materials Research Engineer @OLA Battery innovation center. #DFT, #MD-LAMMPS, Li ion battery development, electron and photon transport, and electro-catalysis.
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.
🚀 Anders S. Christensen @andersx.bsky.social Coding, machine learning, quantum mechanics, and molecules!
Lead Machine Learning Researcher 🐑 Iambic Therapeutics, Inc.
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
@thijsstuyver.bsky.social @thijsstuyver.bsky.social 
The Computational Spectroscopy Group at University of Groningen @compspecgroup.bsky.social Quantum Dynamics, Ultrafast Spectroscopy Simulations, Computational Chemistry, Theoretical Physics
computationalspectroscopy.eu
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
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/
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
Søren Strandskov Sørensen @sorenstrandskov.bsky.social Assistant Professor @Aalborg University 🇩🇰 working with oxide and hybrid materials 🧪- S @sundenlab.bsky.social @sundenlab.bsky.social
Jason Yalim @yalim.bsky.social Sr. ML Eng. @ PayPal's GFP ML R&D.
Formerly Assistant Research Professor, Computational Research Accelerator, a supercomputing-adjacent unit @ Arizona State University. PhD Applied Math. on stratified fluid flows.
math.la.asu.edu/~yalim
Views my own
Nina Kann @kannlab.bsky.social