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
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
David Williams-Young @dbwy-science.bsky.social #HPC | #CompChem | Applied Math
Principal SWE @ Microsoft Quantum
ex-LBNL, PhD @ UW
Thoughts are my own.
Mathieu Linares @mathieulinares.bsky.social Application Expert at PDC @KTH Working on the interoperability of #compchem tools. Active developer of @veloxchem.bsky.social and @viamd.bsky.social
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
Igor Roncevic @ironcevic.bsky.social Lecturer (Assistant Prof) in Chemistry at the University of Manchester, using computers to look at organic conjugated stuff
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
CNRS Nucléaire & Particules @cnrs-in2p3.bsky.social Institut national de #physique #nucléaire et de physique des #particules du CNRS (@cnrs.fr)
#astroparticules #accélérateurs
@CNRS_IN2P3 sur Twitter
CNRS @cnrs.fr Organisme public 🇫🇷 de recherche pluridisciplinaire, le Centre national de la recherche scientifique c'est 33 000 personnes qui font avancer la connaissance. #HelloESR
CEA @cea.fr Acteur majeur de la recherche 🇫🇷 et 🇪🇺
Apporte des solutions technologiques concrètes 💪
#Énergie #Climat #Numérique #Santé #Défense #Sécurité
GENCI @gencifrance.bsky.social GENCI (Grand Équipement National de Calcul Intensif) est une grande infrastructure de recherche, opérateur public visant à démocratiser l’usage de la simulation numérique par le calcul haute performance associé à l’IA et au calcul quantique
COSY COST Action CA21101 @cosy-action.bsky.social 🇪🇺 Research network within the EU COST Association. From new-generation materials to the stars: we study COnfined molecular SYstems (COSY). ⚛️🌌
https://www.cost.eu/actions/CA21101/
https://cost-cosy.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
The CTM Group @ctm-itodys.bsky.social The Theoretical Chemistry & Modeling Group, Université Paris Cité upcite.bsky.social, ITODYS @itodys.bsky.social, CNRS @cnrs.fr
LUMIhpc @lumi-supercomputer.eu EuroHPC flagship supercomputer at CSC's data center in collaboration with the LUMI consortium 🇫🇮 🇧🇪 🇨🇭 🇨🇿 🇩🇰 🇪🇪 🇮🇸 🇳🇱 🇳🇴 🇵🇱 🇸🇪. #lumisupercomputer www.lumi-supercomputer.eu
VeloxChem @veloxchem.bsky.social VeloxChem is a Python-based open source quantum chemistry software developed for the calculation of molecular properties and simulation of spectroscopies.
Ewa Pastorczak @ewapastorczak.bsky.social Doing quantum chemistry at @p_lodz_pl
Paul A Johnson @johnsontheochem.bsky.social Strong electron correlation with Bethe Ansatz wavefunctions
Dulwich Quantum Computing @dulwichquantum.bsky.social Parody quantum computing startup from South London
https://dulwichquantum.github.io/
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
Paola Gori Giorgi @paolagorigiorgi.bsky.social Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
Jan Unsleber @nabbelbabbel.bsky.social Researcher and Software Engineer (Theoretical Chemistry, #CompChem, #ChemSky).
Currently: @microsoft.com Quantum 🇩🇰. Formerly: Post-Doc @ethzurich.bsky.social 🇨🇭, PhD @uni-muenster.de 🇩🇪.
Miquel Huix-Rotllant @huixrotllant.bsky.social Quantum Chemist - @CNRS Researcher - Institut de Chimie Radicalaire - Aix-Marseille University
Kimika Teorikoa Lab @theochemehu.bsky.social Theoretical Chemistry Laboratory at UPV-EHU
Donostia - San Sebastián
http://www.ehu.es/chemistry/theory
@orca-qc-official.bsky.social @orca-qc-official.bsky.social 
CECAM @cecamevents.bsky.social Promoting fundamental research on advanced computational methods
Zernike Institute for Advanced Materials @zernike-institute.bsky.social Research Institute at University of Groningen, The Netherlands. 
TCCM @emtccm.bsky.social Erasmus Mundus Joint Masters in Theoretical Chemistry and Computational Modelling
https://www.emtccm.org/
The Computational Spectroscopy Group at University of Groningen @compspecgroup.bsky.social Quantum Dynamics, Ultrafast Spectroscopy Simulations, Computational Chemistry, Theoretical Physics
computationalspectroscopy.eu
Pere Miró @peremiro.bsky.social #CompChem #RadioChem Associate Professor at the University of Iowa. ICIQ alumni.
Peter Knowles @cwantwm.bsky.social Quantum chemist at Cardiff
Ida-Marie Høyvik @idamaho.bsky.social Associate Professor in Theoretical Chemistry at the Norwegian University of Science and Technology (NTNU)
#RealTimeChem @realtimechem.bsky.social Official home for the #Chemistry community #RealTimeChem (part of #ChemSky). Connecting chemists (on the old place since 2012. Curated by @doctorgalactic.bsky.social.
Join in by sharing chemistry using #RealTimeChem.
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. 
Christian Mück-Lichtenfeld @cmueli.bsky.social Computational Chemist. Molecular Chemistry. University of Münster. Cyclist 🚴🏻♂️
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
Texas Advanced Computing Center at UT Austin @taccutexas.bsky.social 25 years of #Powering Discoveries. Home to the National Science Foundation Leadership-Class Computing Facility. Learn more: https://tacc.utexas.edu/
Janus Juul Eriksen @januseriksen.bsky.social Assoc. prof. in #compchem at DTU (🇩🇰) -- Previously: Bristol Uni (🇬🇧) & Uni Mainz (🇩🇪). Member of @theyoungacademydk.bsky.social (🇩🇰, 2022-27).
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. 
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)
Stijn De Baerdemacker @cortogantese.bsky.social The reason why the sky is blue is #quantum. The reason why it is sometimes pink is sunsets. #theochem #xai #qubits #quovadis
Most sunsets observed in #Fredericton 🍁
DePrince Lab @deprincelab.bsky.social https://deprincelab.github.io/
Jan H. Jensen @janhjensen.bsky.social Computational chemist at the University of Copenhagen #compchem
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.
Marc Baaden @baam93.bsky.social Theoretical chemist | Transforming microscopic worlds into creative adventures | 🧪 Bridging science, art, and imagination | Exploring the fascinating narratives hidden in molecules
Theoretical Chemistry at TU Dresden @theochemtud.bsky.social Chair of Theoretical Chemistry at TU Dresden of prof. Thomas Heine @thomasheine.bsky.social with two junior groups: Dorothea Golze Emmy-Noether / ERC starting group PhotoMat and Rico Friedrich DRESDEN-concept group AutoMaT
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
Molecolab Pisa @molecolabpisa.bsky.social Computational Chemistry Research Group at the University of Pisa, Italy https://molecolab.dcci.unipi.it/ 
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
M. Rodríguez-Mayorga @marm314.bsky.social Postdoctoral researcher @LCPQ
Theoretical Chemist #compchem
https://drmarm314.wordpress.com/2019/03/26/index/
ChemShell @chemshell.bsky.social ChemShell is a computational chemistry environment for multiscale QM/MM modelling developed at STFC Daresbury Laboratory and collaborating groups around the world.
Website: chemshell.org
Q-Chem @qchemsoftware.bsky.social Q-Chem provides a comprehensive ab initio quantum chemistry program, allowing scientists worldwide to model chemical problems quickly and accurately.
http://q-chem.com/
Valérie Vallet @valevallet.bsky.social CNRS researcher in theoretical and computational chemistry
PhLAM institute @univlille.bsky.social
Christoph Jacob @christophjacob.eu Professor for Theoretical Chemistry at TU Braunschweig
http://www.christophjacob.eu
Radovan Bast @radovan.xyz theoretical chemist turned research software engineer - CodeRefinery, open science, research, software, data, computing, teaching, oceanography, computational geometry, baking, occasional 8-bit stuff - he/him - https://radovan.xyz/
CodeRefinery @coderefinery.org We teach all the essential tools which are usually skipped in academic education so everyone can make full use of software, computing, and data with focus on reusability, reproducibility, and openness.
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
Andre Gomes @aspg.eurosky.social theoretical chemistry. molecular physics. and (mostly) some other stuff.
Bluesky @bsky.app official Bluesky account (check username👆)
Bugs, feature requests, feedback: support@bsky.app