Johannes Margraf @jtmargraf.bsky.social All day I dream about science!
Computational chemistry, machine learning, electronic structure.
https://margraf.uni-bayreuth.de
Theory Department - FHI der MPG @thdept-fhi-mpg.bsky.social We focus on quantitative #modeling of #material properties and functions, especially in #catalysts and #energy conversion devices.
Based in Berlin Dahlem.
Website: https://www.fhi.mpg.de/th-department
Carla Verdi @carlaverdi.bsky.social Computational materials physicist Down Under
Julia Westermayr @jwestermayr.bsky.social Assistant Prof. for machine learning in theoretical chemistry at Leipzig University & passionate runner
CSCS - Swiss National Supercomputing Centre @cscsch.bsky.social CSCS, the Swiss National Supercomputing Centre, develops and promotes technical and scientific services in high-performance computing. #weareAlps
Andrew MacBride @amacbride.com biology + computers + a leavening of snark | 👨👨👧👧🏳️🌈| nanomedicine | cancer genomics 🧬 | ML | biomaterials | #compchem #matsky #chemsky #ai4science #materialsinformatics #md | startups | @Cal 🐻 @Stanford @UniversityOfOxford @OxfordNano (swimsf on the Bad Place)
@abmazitov.bsky.social @abmazitov.bsky.social 
Joe Abbott @jwasci.bsky.social PhD Student at Lab COSMO, EPFL, working on surrogate models for DFT.
Aurora Clark @chemnetworks.bsky.social Computational and theoretical chemistry, solutions, interfaces, separations science, applied math and DS. Opinions are my own. clarkchem.com chemnetworks.com
Paolo Pegolo @ppegolo.bsky.social 
GiovanniMaria Piccini @giovannimpiccini.bsky.social Associate professor of theoretical chemistry at University of Modena and Reggio Emilia. Interested in molecular simulations, catalysis, reactivity. 
Andres Montoya-Castillo @amcdynamics.bsky.social Theoretical chemist | Quantum dynamicist | Asst. Prof.
@CUBoulder | www.montoyacastillogroup.com
Uli Aschauer @uliaschauer.bsky.social Computational material scientist @unisalzburg.bsky.social
Sophia Haussener @lrese-epfl.bsky.social Associate Professor at the Institute of Mechanical Engineering at EPFL working on #solarfuels and #energy
Miguel Caro @miguel-caro.bsky.social Computational materials physics/chemistry/whatever.
Senior Scientist & Academy of Finland Research Fellow, Aalto University
Giulia Palermo @giuliapalermo.bsky.social https://palermolab.com
Giulia Palermo Lab at the University of California, Riverside. Biophysicist passionate about Science & Art! In love with Nucleic Acids and Computational Science!
European Research Council (ERC) @erc.europa.eu European Research Council, set up by the EU, funds top researchers of any nationality, helping them pursue great ideas at the frontiers of knowledge. #HorizonEU
QSE Center at EPFL @qse-epfl.bsky.social The EPFL Center for Quantum Science and Engineering (QSE) is a hub for cross-disciplinary research, education and innovation in quantum science and engineering.
@venkatkapil24.bsky.social @venkatkapil24.bsky.social 
@nccr-marvel.bsky.social @nccr-marvel.bsky.social 
Carolyn Bertozzi @carolynbertozzi.bskyverified.social All views and opinions expressed are my own.
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/
Materials Science & Engineering @EPFL @materials-epfl.bsky.social Science & Engineering that matters
Ferruccio Palazzesi @ferripala.bsky.social (He/Him) #compchem, with a big passion for unicorns 🦄 
CECAM @cecamevents.bsky.social Promoting fundamental research on advanced computational methods
Barak Hirshberg @barakhirshberg.bsky.social #MolecularSimulations | Associate Professor Tel Aviv University | PostDoc: Rothschild Fellow, Parrinello group, ETH Zurich | PhD: Adams Fellow, w/Benny Gerber, Hebrew University
Chloé Bayon @chloe-bayon.bsky.social Outreach Coordinator @materials-epfl.bsky.social
Member @observatoireduspecisme.ch
Master #CSTgre | physics PhD at CEMES-CNRS
Hans de Vries 🌻💙💛🌻 @hansdevriesnl.bsky.social http://chip-architect.com/MyWork.html
http://physics-quest.org
http://thephysicsquest.blogspot.com
Proud father of two daughters. ❤️❤️
Trying to be vegan. 🌱💚
Johannes Wasmer @irratzo.bsky.social @irratzo@chaos.social • machine learning density functional theory • PhD student @fz_juelich • Fellow of @hds_lee graduate school. http://wonderl.ink/@jwasmer
Francesco Stellacci @frstella.bsky.social Professor at EPFL. My research interests are in nanotechnology, nanomedicine, antivirals, and sustainability. https://www.epfl.ch/labs/sunmil/
The Cox Group @thecoxgroup.bsky.social We are the Cox Research Group! We are a computational and theoretical chemistry group in the Department of Chemistry, Durham University. See more at https://coxgroup.github.io/ 
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
Giovanni M. Pavan @giovannipavan.bsky.social Scientist | Full Professor at Politecnico di Torino (IT) | ERC Consolidator grantee | Head of CPC Lab: http://www.gmpavanlab.polito.it | Self-assembly, chemical physics, materials science, soft matter, complex systems, emergent properties
Michelle Ernst @michelle-ernst.bsky.social Postdoc at the University of Bern.
Computational Chemist & Crystallographer. Simulating molecules, reactions, and materials.
Xile Hu @xilehu-epfl.bsky.social Professor at EPFL (Ecole Polytechnic Fédérale de Lausanne). Http://lsci.epfl.ch; catalysis - heterogeneous, homogeneous, bio; membrane; electrochemical energy device. Co-founder and chairman, NovaMea. Http://novamea.swiss
Jeremy Luterbacher @jluterbacher.bsky.social Working on green chemistry, #catalysis and #biomass conversion at EPFL. Head of LPDC.
Co-founder of Bloom Biorenewables and TreaTech.
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
Clemence Corminboeuf @corminboeuf-lab.bsky.social Head of the Computational Molecular Design Laboratory at @EPFL-chem. Mom of two girls. #comp
Riniker lab @ ETHZ @rinikerlab.bsky.social Riniker research group, ETH Zurich
Waser Group @lcsolab.bsky.social Organic Chemistry Lab at ISIC EPFL, NCCR Catalysis, SNE ChemBio
https://www.epfl.ch/labs/lcso/ https://www.linkedin.com/in/lcso-lab/
Starter packs - OrgChem https://go.bsky.app/NSEFPFJ https://go.bsky.app/GwH8tnF
- Chem. in CH https://go.bsky.app/CdvVFKj
Grant Rotskoff @grant.rotskoff.cc Statistical mechanic working on generative models for biophysics and beyond. Assistant professor at Stanford. https://statmech.stanford.edu
Joe Greener @jgreener64.bsky.social Computational chemist/structural bioinformatician working on improving molecular simulation at MRC Laboratory of Molecular Biology. jgreener64.github.io
Molecolab Pisa @molecolabpisa.bsky.social Computational Chemistry Research Group at the University of Pisa, Italy https://molecolab.dcci.unipi.it/ 
Bingqing Cheng @chengbingqing.bsky.social Computational Materials Science. Assistant Professor at UC Berkeley. 
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
🚀 Anders S. Christensen @andersx.bsky.social Coding, machine learning, quantum mechanics, and molecules!
Lead Machine Learning Researcher 🐑 Iambic Therapeutics, Inc.
Journal of Open Source Software @joss-openjournals.bsky.social The Journal of Open Source Software is a developer friendly, diamond open access journal for research software packages.
Committed to publishing quality research software with zero article processing charges or subscription fees.
https://joss.theoj.org/
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/
Clara Kirkvold @clarakirkvold.bsky.social Postdoc in Gryn'ova group @ UoB | UMN Chem PhD 2024 | AI and machine learning in chemistry
@gkhmadsen.bsky.social @gkhmadsen.bsky.social Theoretical materials chemistry at TU Wien
Alan Grossfield @agrossfield.bsky.social Expert in biomolecular simulation and biophysics.
https://grossfieldlab.org
https://github.com/agrossfield/wham
http://grossfieldlab.github.io/loos/
https://orcid.org/0000-0002-5877-2789
Graeme Day @graemeday.bsky.social Professor, Head of Digital and Data-Driven Chemistry, School of Chemistry and Chemical Engineering at @unisouthampton.bsky.social
Associate Editor at Chemical Science (@roysocchem.bsky.social)
structure prediction, materials discovery
Anthony Phillips @aephillips.bsky.social Crystallographer ❄ and materials chemist ⚗️ pretending to be a condensed matter physicist ⚛️, or possibly vice versa. Aussie, Jewish, gay.
@felixmusil.bsky.social @felixmusil.bsky.social 
Timothy P. Jenkins @tpjenkins.bsky.social I am an Associate Professor at DTU and leading the Digital Biotechnology Lab. I am passionate about harnessing the power of modern technology such as AI Protein Design to innovate the biotechnological landscape and develop real world solutions.
@scanlond81.bsky.social @scanlond81.bsky.social 
MICCoM Center @miccom-center.bsky.social The Midwest Integrated Center for Computational Materials develops interoperable open source software, data, and validation procedures.
HQ: Argonne National Lab
Yair litman @yairlitman.bsky.social (Electrified) Aqueous interfaces | Vibrational Spectroscopy | Rate Theories | Quantum dynamics
Group Leader of the STREAM group at @MPIP-mainz.mpg.de
Alessandra Magistrato @magistratolab.bsky.social Research Director, CNR-IOM @ SISSA,
Head of Laboratory for Computational Chemistry and Biochemistry
http://magistratogroup.wordpress.com
Günter Klambauer @gklambauer.bsky.social Deep Learning researcher | professor for Artificial Intelligence in Life Sciences | inventor of self-normalizing neural networks | ELLIS program Director
Ice Group Cambridge @ice-group-cam.bsky.social We are a research group in the Chemistry department at the University of Cambridge working on atomistic computer simulations of (mainly) aqueous systems.
Randall Munroe @xkcd.com 
Stefano Sanvito @ssanvito.bsky.social Professor of theoretical/computational Physics at Trinity College Dublin, Director @cranntcd, Member of @royalirishacademy.bsky.social
marcel ⊙ @marceldotsci.bsky.social Trying to build better machine-learning surrogate models for DFT. Postdoc @ COSMO Lab (EPFL) 👨🏻🚀.
https://marcel.science
Paola Gori Giorgi @paolagorigiorgi.bsky.social Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
Gräter lab @graeterlab.bsky.social We aim at unraveling the intricacies of molecular perception and designing sensing molecular systems from the ground up. We work at the interface of biophysics, biochemistry, and materials science.
@ Max Planck Institute for Polymer Research, Mainz.
Piero Gasparotto @pgaspa.bsky.social AI4Science @ Microsoft Quantum
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 🇲🇽🇺🇸
Lorenzo Cupellini @lcupellini.bsky.social Theoretical and computational chemist, young researcher. Piano and photography enthusiast.
Jennie Martin @jennieemartin.bsky.social Senior research assistant investigating crystal structure prediction at University of Southampton | Ice hockey and model scenery fan
🧑🔬 💻 🏒
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
Aron ⇋ e⁻ @aronwalsh.github.io Virtual Chemist; Liúdramán; Personal Opinions
Filippo S @fspiga.bsky.social «What I cannot compute, I do not understand.» || «Roses are Red // Violets are Blue // Unexpected '{' at line 42»
Born in 🇮🇹 ~ Lived in 🇺🇸🇮🇪🇨🇭🇹🇼 ~ Settled in 🇬🇧 ~ Dynamically (al)located between 🇬🇧🇹🇼🇪🇸
the Kulik Group @kulikgroup.bsky.social An Inorganic Design, Computational Chemistry, Machine Learning, and Enzyme Catalysis Research Group in Chemical Engineering at MIT.
Led by Prof. Heather J. Kulik
hjkgrp.mit.edu
Zoe Holmes @qzoeholmes.bsky.social Quantum physicist. Assistant Prof at EPFL. Climber.
Jigyasa Nigam @jnigam.bsky.social Postdoc @mit.edu, curious physicist unraveling the unknown #openscience👩🔬📚 Prev: @labcosmo.bsky.social EPFL
Toni @giorginolab.it Computational biophysicist, et al. Opinions expressed are my own.
Lucie Delemotte @delemottelab.bsky.social Computational biophysicist, prof at KTH, Stockholm. Loves membrane proteins and mathematical models. Mom of twin toddlers. 🇫🇷🇸🇪
Giuseppe Carleo @gppcarleo.bsky.social Computational Quantum Physicist - EPFL Lausanne, Switzerland 
@rlaplaza.bsky.social @rlaplaza.bsky.social Quantum chemist turned machine learning enjoyer. Curious about most things!
Andras Kis @andraskis.bsky.social Professor at EPFL, https://lanes.epfl.ch
Handle from the other network: @andras_ks
ORCID: 0000-0002-3426-7702
Sorbonne Université @sorbonne-universite.fr 🎓 Compte officiel de Sorbonne Université, université de recherche intensive et pluridisciplinaire en lettres, santé, sciences & ingénierie. Suivez notre actualité recherche !
https://www.sorbonne-universite.fr/
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.
@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
Mariana Rossi @mahrossi.bsky.social Brazilian, mother, scientist. Living in Hamburg. Surviving in science ;-)
Marwin Segler @marwinsegler.bsky.social Machine Learning, {Org, Med, Comp} Chem, RL/Planning, AI-assisted Scientific Discovery & Creativity, Music. ELLIS Scholar. Team Lead at Microsoft Research AI for Science. 2xDad
Daniel Probst @skepteis.bsky.social Computer scientist, Bioinformatician, PhD in Chemistry and Molecular Sciences. Working on the above as an Assistant Prof at WUR. Interested in all the sciences. Materialist. Fan of cats, Punk Rock, and Hockey.
John Chodera @jchodera.bsky.social Achira | http://achira.ai
Research laboratory | http://choderalab.org
Antiviral drug discovery for pandemics | http://asapdiscovery.org
OpenADMET | http://openadmet.org
Employer-mandated disclaimer: http://choderalab.org/disclaimer
Pronouns: he/him
Per-Ola Norrby @peonor.bsky.social Chemist, husband, father, singer. Sustainability, catalysis, stereochemistry, predictive modeling. Senior Principal Scientist @astrazeneca.bsky.social Gothenburg. he/him
Jean-Philip Piquemal @jppiquem.bsky.social Professor of Theoretical Chemistry @sorbonne-universite.fr & Director @lct-umr7616.bsky.social| Co-Founder & CSO @qubit-pharma.bsky.social (My Views)
https://piquemalresearch.com | https://tinker-hp.org
Peter Kenny @pwk2024.bsky.social Slayer of soucouyants but terrified of douens, centipedes and ceiling fans
Blog (Molecular Design): https://fbdd-lit.blogspot.com/
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
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
Markus Sitzmann @markussitzmann.bsky.social #scientist #cheminformatics #datascience #patents #FIZKarlsruhe
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.
Guillem Simeon @guillemsimeon.bsky.social AI scientist @ Mistral AI. AI for science.
Paris 🏳️🌈
Christoph Jacob @christophjacob.eu Professor for Theoretical Chemistry at TU Braunschweig
http://www.christophjacob.eu
Gerard JP van Westen @gjpvwesten.bsky.social KNCV Gold Medal 2023.
Exploring drug space with AI 💪,
Professor of AI & Med Chem in Leiden, Computational Drug Discovery, http://cddl.nl, Opinions are my own.
Bernardo de Souza @bernadsz.bsky.social Nature lover. Curious turned scientist. Part of the ORCA development team. Now bringing Quantum Theory and Molecular Physics to the real world at @faccts-orca.bsky.social
https://scholar.google.com.br/citations?user=U6szjgMAAAAJ&hl=pt-BR
Matt Swain @mcs07.bsky.social Software and cheminformatics for drug discovery. Working at D. E. Shaw Research.