@nunglert.bsky.social @nunglert.bsky.social 
Emilio Martinez-Nunez @emiliomart.bsky.social Professor of Physical Chemistry
Computational and Theoretical Chemist
https://github.com/emartineznunez/AutoMeKin
Robin Bedford @bedcatalysis.bsky.social Professor. Chemistry, dogs, allotment and homemade wine - what’s not to like? He/him.
Oriana Brea @orianabrean.bsky.social Computational Chemist at Johnson & Johnson Innovative Medicine. Opinions are my own.
#CompChem
Xin@QuantumChem @xinquantum.bsky.social Computational Chemist
@NJ/NYC
Github: https://github.com/XinChenQC
SpoonFellas#NAFO NC Gen❌🦋🇺🇸🇺🇦🇬🇪🏳️🌈🇨🇦🇬🇱🇩🇰🇦🇺🌈💙democrat 💛 @spoont51.bsky.social We stand together with these nations and the people of these nations 🇨🇦🇬🇪🇲🇽🇲🇽🇺🇦 #NAFO #FAFO .
Engineering HR @engineeringhr.bsky.social Engineering Human Resources. A job board and career portal for engineers, researchers and developers. Our website: https://www.engineering.hr
Science HR @sciencehr.bsky.social A career network featuring science jobs in academia and industry.
Visit our platform at www.science.hr
@monari-luca.bsky.social @monari-luca.bsky.social 
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/
deepmirror @deepmirror.bsky.social On a mission to empower scientists by bridging human ingenuity and technology, accelerating the journey from idea to patient impact.
Dan O'Leary @doleary47.bsky.social I'm a professor of chemistry at Pomona College in Claremont, California. I teach general and organic chemistry, NMR spectroscopy, and computational chemistry. My research interests span these realms + the history of science + 3D printing pedagogies.
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
Society for Medicines Research @socmedres.bsky.social The Society for Medicines Research is a UK based charity connecting scientists engaged in drug discovery. We organise scientific mentoring events.
https://smr.org.uk
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
Andy Cooper @aicooper.bsky.social Mostly science related. Occasional gardening to be feared. "Aren't you the guy who built that robot?"
@qmmechanist.bsky.social @qmmechanist.bsky.social 
Minggao Feng @ffmmgg.bsky.social Compchem PhD at Cooper's Group @Liverpool
George @nonlinearbotanist.bsky.social Baroque mind that loves Baroque music. Broken mind that loves breakaway minds. I am 68. A radical environmentalist. Happily married for 36 years. Dual citizen. In Canada - NDP or Green Party. In the US - straight Democratic ticket. I am sort of retired.
Cats ❤️ @cat.creator.blue your daily dose of cats
Martin Stoermer @martinstoermer.bsky.social I do Medicinal Chemistry for viral proteases. Ginger cat and golden retriever dad. Football and non-cycling cycling fan. Chronic pain and immune compromised scientist on the slippery slope to retirement.
📍Brisbane, Queensland, Australia
Salty Chemist @saltychemist.bsky.social Robert Topper, professor. Views are my own, not my employer’s (obvi) Computational & theoretical chemistry and physics. Really into aerosolized acid-base nanoparticles these days. DFT, ab initio, stat mech, Monte Carlo, MD, lots of salt (in a nice way)
Nikhil Shenoy @nikhilshenoy.bsky.social Working on simulating molecules with AI @valenceai.bsky.social, @recursionpharma.bsky.social | Ex UBC, IIT Delhi
For more details: shenoynikhil.com
Jae Hattrick-Simpers @jae3goals.bsky.social Section 8 Resident (1980 - 2002)
Free/Reduced Lunch Beneficiary (1984 - 1997)
Pell Grant Awardee (1997-2002)
Real human bean - most likely - jury is still out
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/
The Computational Spectroscopy Group at University of Groningen @compspecgroup.bsky.social Quantum Dynamics, Ultrafast Spectroscopy Simulations, Computational Chemistry, Theoretical Physics
computationalspectroscopy.eu
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. 
Jenny Lin @jhylin.bsky.social Enthusiast in using Python for drug data. Occasionally uses R. Used to be a pharmacist and happened to have a comp/med chem PhD.
Nils Weskamp @nilsweskamp.bsky.social Teaching computers chemistry. Helping data sets with people problems. Sailing the sea. Opinions my own. 
Manas Mahale @manasmahale.bsky.social Cheminformatics | manasmahale.in
Jamie Gould @jamieagould.bsky.social 
Gautam @gautammalik.bsky.social Research Assistant at University of Cambridge | Exploring deep learning in biology with big dreams of using AI to make drug discovery a little less complicated!🧬🖥️
Willi @willigo09.bsky.social Working on #SelfDrivingLabs at the Acceleration Consortium @ UofT. Former employee at dsm-firmenich working on self-driving labs for food applications. Interested in systems biology, microbial communities, ML/AI, software development, product management.
Bart Lenselink @ebartlenselink.bsky.social Digital Drug Hunter
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
Dr Javier Sánchez Utgés @javierutges.bsky.social Postdoctoral Research Assistant in the @cathgene3d.bsky.social Group at @ucl.ac.uk
LIGYSIS-web: tinyurl.com/Utges-LIGYSIS
Ligand site prediction benchmark: tinyurl.com/Utges-LBS
Fragment screening sites: tinyurl.com/Utges-FRAGSYS
Joohan @joohannam.bsky.social Postdoctoral Researcher | Chemistry | UNIST🇰🇷 | Zeolitic Imidazolate Frameworks | 📕Machine📗Kirigami📘Entropy📙Actuator
Anna Slater @annagslater.bsky.social (she/they) RS University Research Fellow/Professor of Chemistry at the University of Liverpool. Flow & supramolecular/materials chemistry, automation #sciencemagpie
@pythonf.bsky.social @pythonf.bsky.social 
David Fairén🔻☮ @davidfairen.bsky.social Molecular Engineering at Cambridge. Materials discovery, monolithic metal-organic frameworks (MOFs), energy transition, drug delivery, RNA, and more. Linking academia and industry. Founder of Immaterial and Vector Bioscience
Michael J. Bojdys @mjbojdys.bsky.social Materials chemist. Science policy and innovation funding.
Personal account. Views my own.
Dr Andrea Laybourn @andrealaybourn.bsky.social Materials chemist & adopted engineer. UKRI Future Leaders Fellow & Assoc Prof @ Uni Leeds, UK. Porous functional materials, #MOFs #microwave, #flow synthesis, scale-up. Part of #MOFleyCrew. She/her 🌈 #FirstGen #WomeninSTEM #UKRI #UKRIFLF. Own views.
Chris Bowen @bowennemesis.bsky.social UKRI Frontier Research Guarantee 2023 - 2028: Processing of Smart Porous Electro-Ceramic Transducers (ProSPECT). Materials Science.
University of Bath, UK
Michael Fischer @zeolitemifi.bsky.social Scientist working at the University of Bremen (Faculty of Geosciences)
#mineralogy #crystallography
#zeolites #compchem #adsorption
Esther Johnston @estherjohnston.bsky.social Scientific Editor of @chemicalscience.rsc.org, the flagship journal of the Royal Society of Chemistry. Diamond open access! | bioinorganic chemist | PhD Stanford University, post-doc University of York | wife, mum, gardener, Christian | she/her
Rishal Aggarwal @rishalchich.bsky.social Machine Learning, Statistical Mechanics, Structural Biology. F1 and Football ⚽. PhD Student CMU-Pitt Comp Bio | IIITH | BITS Pilani
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)
Erwin Schrödinger Institute for Mathematics and Physics @esivienna.bsky.social The Erwin Schrödinger International Institute is a visitors-oriented research institute for mathematics and physics at the University of Vienna @univie.ac.at
www.esi.ac.at
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
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
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).
Christoph Dellago @chhdellago.bsky.social Physicist, professor @univie.ac.at, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. 🇪🇺
Anthony J. H. M. Meijer @dranthonymeijer.bsky.social Dutch Professor of Theoretical Chemistry working at Sheffield University. Of course, my opinions are exactly that: *my* opinions. He/Him.
UK-QSAR & Cheminformatics Group @ukqsar.bsky.social We organise two one-day meetings per year in the UK, and always free to register.
The #UKQSAR & #Cheminformatics Group is for scientists interested in approaches to #CompChem #DrugDesign #MedChem #BigData #DataScience #RealTimeChem
https://ukqsar.org
Nathan Brown @nathanbroon.bsky.social Cheminformatics scientist living in #Aarhus #Denmark • Chair @UKQSAR • FRSA FRSB FRSC
https://scholar.google.com/citations?user=N0-4IgoAAAAJ
Michael Pittelkow @pittelkowlab.bsky.social Father, scientist
Marta Filizola @martafilizola.bsky.social Computational biophysicist specialized in GPCRs, beta3 integrins, and other membrane proteins. Professor and Dean at Icahn School of Medicine at Mount Sinai.
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.
Nick Greeves @nickgreeves.bsky.social Mac loving organic chemist, emeritus professor, textbook author, creator of ChemTube3D.com, SFHEA and HEA NTF, views are my own
Paulo E. Abreu @g0shie.bsky.social Professor of Chemistry@Universidade de Coimbra. Chemistry, cooking, clarinets, symmetry, music, art, computers and programming all make me tick!
https://orcid.org/0000-0003-2393-0203
Peter Knowles @cwantwm.bsky.social Quantum chemist at Cardiff
Dan Priebbenow @danpriebbenow.bsky.social > Senior Lecturer (Chemistry) & Deputy Theme Leader @ Monash Institute of Pharmaceutical Sciences (MIPS), Melbourne, Australia.
> Photochemistry, Catalysis, Carbenes & Nitrenes
> Medicinal Chemistry
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 🇲🇽🇺🇸
<Joaquin | Barroso> @joaquinbarroso.bsky.social CompChemist. Baseball fanatic. Casual cyclist. Dad. #CompChem -> https://joaquinbarroso.com
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.
Per-Ola Norrby @peonor.bsky.social Chemist, husband, father, singer. Sustainability, catalysis, stereochemistry, predictive modeling. Senior Principal Scientist @astrazeneca.bsky.social Gothenburg. he/him
Ellis Crawford @elliscrawford.bsky.social Scientific Editor, RSC. Views my own.
Background in computational chemistry and education.
Sci-fi, blackgaze, queer horror books, MMOs
Ami The American (Ami Unfollowable) @unfollowable.bsky.social AI enthusiast | Spicing up your feed with pancakes, tech, and bold questions 🍯💃 | Let’s talk about the future 🤖 | Always here for the debate 🎙️
Art Winter @arthurhwinter.bsky.social Morrill Professor of Chemistry at Iowa State
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
James O’Brien @jamesob2.bsky.social PhD Student studying #compchem in the Trujillo Research Group at The University of Manchester
Mathias Christmann @christmann.bsky.social Professor of Chemistry 👨🔬 FU Berlin
https://www.bcp.fu-berlin.de/en/chemie/chemie/forschung/OrgChem/christmann/index.html
Loves Tool & learns Python #ChemSky
Jonas Verhellen @jonasverhellen.bsky.social Theoretical physicist with a PhD in neuroscience. Postdoc in protein-protein interactions. Into art, science, and innovation.
Currently: Copenhagen 🇩🇰
Previously: Oslo 🇳🇴, London 🇬🇧, Brussels 🇧🇪
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
John P. Overington @jpoverington.bsky.social Work at xymeai - Data Science, Cheminformatics, Computational Medicinal Chemistry, Structural Bioinformatics, Protein Engineering, SaaS, DaaS, AI/ML https://scholar.google.com/citations?user=52VMFeYAAAAJ
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
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
Marc Hamilton Garner @marchgarner.bsky.social Theoretical and computational chemist. Molecular Electronics, MO theory, Hund's rule violations and more. @carlsbergfondet.bsky.social
Postdoc at the Technical University of Denmark.
Jim Valcourt @jrvalcourt.bsky.social Drug hunting at D. E. Shaw Research. Dad. Garlic enthusiast.