The Pilarski ResearC···H Group @pilarskigroup.bsky.social Organic synthesis | Methodology | Catalysis | C–H functionalization | Arynes ⬢ Mechanochemistry ⛬ Dept. of Chemistry – BMC, Uppsala University, Sweden. 
Mahesh Jethalia @mjethalia.bsky.social engineer. 
@ai4smeng.bsky.social @ai4smeng.bsky.social 
Science HR @sciencehr.bsky.social A career network featuring science jobs in academia and industry.
Visit our platform at www.science.hr
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/
Umberto Lupo @umbislupo.bsky.social Senior ML Scientist at Isomorphic Labs
Chemical Science @chemicalscience.rsc.org Flagship journal for @rsc.org. Open access, all topics in chemistry. chemicalscience-rsc@rsc.org 🌐 Website: rsc.li/chemscience
Vintage Humanity @vintagehumanity.bsky.social - Rescuing, resurrecting and resharing the past -
Scanning and restoring slides & negatives, mostly 35mm 🎞️
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
Esther Heid @esther-heid.bsky.social Assistant professor for machine learning, deep learning, and AI for chemistry at TU Wien. Programmer, scientist, and puppy-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
Raunak Farhaz @raunakfarhaz.bsky.social Doctoral Student at @humboldtuni.bsky.social Humboldt-Universität zu Berlin - Theoretical Chemistry.
Personal Website : https://raunakfarhaz.com
@salmon-lemon.bsky.social @salmon-lemon.bsky.social 
Davide Tisi @dtisi.bsky.social Condensed matter physicist working with machine learning, PhD at SISSA and currently a post-doc in Ecole Polytechnique Fédérale de Lausanne at
@labcosmo.bsky.social
Adrian Hill @adrianhill.de PhD student at @bifold.berlin, Machine Learning Group, TU Berlin.
Automatic Differentiation, Explainable AI and #JuliaLang.
Open source person: adrianhill.de
Tulga-Erdene Sodjargal @tulga-rdn.bsky.social Mongolian, machine-learned interatomic potentials and cellular biophysics
Lukhmanul Hakeem K. @lukhmanulhakeemk.bsky.social Computational chemist 🖥️ ⌬👩🏻🔬🧬 | Fifth-year i2 BS-MS Student |
IISER TVM
Joe Greener @jgreener64.bsky.social Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology. jgreener64.github.io
Yury Lysogorskiy @yury-lysogorskiy.bsky.social ICAMS, Ruhr University Bochum.
Machine-learning interatomic potentials: Atomic Cluster Expansion (PACE, GRACE)
BIFOLD Berlin Institute for the Foundations of Learning and Data @bifold.berlin Groundbreaking foundational research in Big Data Management, Machine Learning, and their intersection. #AI #Research
www.bifold.berlin
📰News: www.bifold.berlin/news-events/news
🔑Data Privacy: www.bifold.berlin/data-privacy
@fabiannagel.bsky.social @fabiannagel.bsky.social 
@hedikaroui.bsky.social @hedikaroui.bsky.social 
Hanna Siemaszko @scihanna.bsky.social podcasting, science, space, books, volleyball and music - order may change :) Host of the SciLux podcast: https://www.scilux.eu/
Dmitry Eremin @dmeremin.bsky.social Staff Scientist at Caltech / Nelson Lab
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
Sebastian Dick @semodi.bsky.social Machine learning researcher and engineer @ D. E. Shaw Research. QM and ML force fields.
Fernanda Duarte @fjduarte.bsky.social Computational Chemist. Associate Professor at the University of Oxford. Organic Chemistry Fellow at Hertford College. 🇨🇱
How I Wet Your Mother @howiwetyourmother.bsky.social 🔥 I love you 🔥
Memes • Comedy • News
Malibu, Ca
Find us on ig 👇👇👇👇👇👇👇👇
https://www.instagram.com/howiwetyourmotherr/
COSMO Lab @labcosmo.bsky.social Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning.
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
Bess Vlaisavljevich @bessvlai.bsky.social #CompChem #Radiochem at the University of Iowa. Loves cats and avoiding the news. UMN Alum. Former Air National Guard member. 
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
Schäfer Lab Homepage: https://toschaefer.github.io
GERG @gerg77.bsky.social BS RIT | PhD UMich - Janet Smith Lab | Postdoc MIT - Imperiali & Kiessling Labs |
Ruth L. Kirschstein Fellow | Senior Research Fellow @ Biogen
Membrane proteins, glycobiology, structural biology, bikes, dogs, bills mafia
NMR Online Limited @nmronline.bsky.social Independent innovators of online NMR software -- ELEMENTS and ELECTRO
Discover more about our professionally engineered NMR spectroscopy software at https://nmronline.uk
Michael Kisilenko @michaelkis.bsky.social Your go-to for tech and AI content.
Jakub Martinka @jakubmartinka.bsky.social Ph.D. candidate | Excited about excited states and ⟨QCh|ML⟩ | @heyrovskeho-ustav.bsky.social & @sciencecharles.bsky.social in Prague | https://jakubmartinka.github.io/ | @zeptejsevedce.bsky.social
Thorben Frank @thorbenfrank.bsky.social Postdoctoral Researcher @ TU Berlin @BIFOLD Berlin | AI for molecular simulations
Ariane Nunes Alves @anunesalves.bsky.social Computational Biochemist (ligand binding kinetics, crowding)
Lead Researcher at the Brazilian Center for Research in Energy and Materials
Associate Editor at the Journal of Chemical Information and Modeling
Brazilian in Germany
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🤔
Philip Taranto 🍋 @tarantophilip.eurosky.social engaging in musical worlds 🌸 and thinking about quantum information 🌀 amongst other things
G. Andrés Cisneros @cisnerosres.bsky.social Professor #compbiophys #compchem @UT_Dallas
QM/MM force fields DNA rep./modif., cancer biomarkers, ionic liquids, #SACNAS, views my own, he/él 🇲🇽🇺🇸
Fred Pontes @serestranho.bsky.social Ich habe nichts zu sagen!
Postdoc at University of Leeds #computationalchemistry particularly interested in #molecularmodelling, #ionchannels and #antimicrobialresistance #nanopores
queer (he/him) 
Caroline Lynn Kamerlin ☀️ @lynnkamerlin.bsky.social Professor, Georgia Tech Chemistry and Biochemistry. Georgia Research Alliance Eminent Scholar. Senior Editor, Protein Science, Editor-in-Chief, Electronic Structure. Pianist, photographer, foodie, dreamer, mom. She/they. #FirstGen #MENA All views my own.
Charlles Abreu @charlles.bsky.social Research Scientist @MIT
Former ChemE Prof @UFRJ and Principal Scientist @RedesignScience. #CompChem #ML4Chem #ChemSky
Aniruddha Seal @aniruddha.bsky.social UChicago Theoretical Chemistry PhD Student
https://sites.google.com/view/aniseal/
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.
Alice R. Walker @arwalker.bsky.social Associate professor of computational chemistry at Wayne State University (Detroit). Computational simulations of fluorescent biomolecules. PhD@Cisneros, PD@Martinez #bifurious
Liz Decolvenaere @tallakahath.bsky.social Computational chemist with a focus on QM, Force Fields, and how ML can aid in both. Also: Cosplayer, LARP writer, birder, occasional science communicator, and several other things. She/they.
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Hadrien Mary @hadim.bsky.social 🔬 Deputy CTO @ BeLiver | 🧬 Decoding Biology for Precision Oncology | Former @valence_ai @RecursionPharma | 🌴 https://linktr.ee/hadrien.mary 
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
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
Frank 🎃hex🎃 Vázquez @fxvzquez.bsky.social Theorist, usually chemistry.
Assoc. Prof @StJohnsU Chemistry.
Pronouns: he/him/él
Mexican American. 🇲🇽🇺🇸
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)
Felippe Colombari @colombarifm.bsky.social Computational Chemist
Molecular Dynamics | Quantum Chemistry | Machine Learning
Michael Fischer @zeolitemifi.bsky.social Scientist working at the University of Bremen (Faculty of Geosciences)
#mineralogy #crystallography
#zeolites #compchem #adsorption
Steffen Wolf @herrflow.bsky.social Professor of Computational Biology. Theoretical Biophysicist. Family father, uniting Europe and Asia. Part-time writer, musician and Pen&Paper GM. This is my private account - all views are my own.
Per-Ola Norrby @peonor.bsky.social Chemist, husband, father, singer. Sustainability, catalysis, stereochemistry, predictive modeling. Senior Principal Scientist @astrazeneca.bsky.social Gothenburg. he/him
Marcos Veríssimo Alves @mverissi.bsky.social Solid-state computational physicist turned theoretical enzymologist/computational chemist. Cat dad of three.
Daniel Frankel @cyberplasm.bsky.social Scientist and engineer. Interested in understanding complex biological systems. Still very interested in the naked mole-rat and ion channels. Recently ex academic. Working in a synthetic biology start up. Loves thermodynamics.
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
Marcel Swart @marcelswart.bsky.social ▪️P @icreacommunity.bsky.social Prof TheoChem
▪️F @rsc.org
▪️M @acad-euro.bsky.social
▪️E @ica-papers.bsky.social
▪️ORCID: https://orcid.org/0000-0002-8174-8488
▪️🇳🇱 Views my own
▪️Pronouns: he/him/his
▪️Web: @marcelswart.eu
▪️See @spinstatepapers.bsky.social
Ganna (Anya) Gryn’ova 🇺🇦 @grynova.bsky.social Associate Professor of Computational Chemistry, University of Birmingham
https://www.grynova-ccc.org/
views my own
Karel "CaCO3" Berka @krapnik.bsky.social theoretical physical chemist, molecular modeller and chem- and bioinformatician - #AlphaFoldology enthusiast
Palacky University Olomouc, ORCID:0000-0001-9472-2589 #boardgamegeek (tweets my own) #ELIXIRCZ
Ellis Crawford @elliscrawford.bsky.social Scientific Editor, RSC. Views my own.
Background in computational chemistry and education.
Sci-fi, blackgaze, queer horror books, MMOs
Cole Group @colegroupncl.bsky.social We are a computational research group at Newcastle University led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology https://blogs.ncl.ac.uk/danielcole/
Wojciech Kopec @wojciechkopec.bsky.social Lecturer in Computational Pharmaceutical Chemistry at Queen Mary University of London | Visiting Scientist at the Max Planck Institute for Multidisciplinary Sciences | Computational Electrophysiology & Ion Channels
Poland->Denmark->USA->Germany->UK..?
Henrique C. S. Junior @hcsj.bsky.social Assistant professor at UFRRJ. Computational chemist from Rio de Janeiro. My thing is inorganic and photochemistry. I do some python. I play some blues. This is my personal account. Opinions are my own.
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).
Peter Knowles @cwantwm.bsky.social Quantum chemist at Cardiff
Bruno Ehrler @brunoehrler.bsky.social Physicist, solar cell researcher at AMOLF Amsterdam. He/him.
Jan Hermann @hrmnn.net Computational chemistry & physics, electrons, deep learning 🚲☕️♟️ Microsoft Research AI for Science · https://hrmnn.net
SOPHONT SIMP @sophontsimp.bsky.social Nanomechanical Transhuman Shrimp. Interested in AI and biology. Very partisan leftist. All pronouns work. Background is art by David Goodsell.
Tim Gould @timgouldsci.bsky.social @timgould_scienc on twitter
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.
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."
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)
Jihed Ncib @jihedncib.bsky.social Machine Learning Researcher (Post-doctoral) at the Connected Politics Lab and the School of Computer Science (University College Dublin).
www.jihedncib.net
Tugba Ozturk @tozturk.bsky.social Computational biophysicist | loves lipids and ion channels | bakes, reads, plays board games, runs a little island on animal crossing, collects stamps and stickers, also loves reading about writing
Stefan Gugler⚗️化学 @stevain.bsky.social theoretical chemist and ml person 日本語おK خلض
Andrew S. Rosen @andrewrosen.bsky.social Assistant Professor at Princeton. Quantum-chemical engineer and materials designer.
https://rosen.cbe.princeton.edu
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
marcel ⊙ @marceldotsci.bsky.social Trying to build better machine-learning surrogate models for DFT. Postdoc @ COSMO Lab (EPFL) 👨🏻🚀.
https://marcel.science
@reinimau.bsky.social @reinimau.bsky.social Professor of #compchem/phys, University of Warwick & University of Vienna
Surface Science, nonadiabatic/quantum dynamics, ML/AI