American Physical Society @apsphysics.aps.org Fostering a vibrant, inclusive, and global community dedicated to science and society. Join us: http://go.aps.org/2NWWEeY
Physical Review X @physrevx.aps.org @apsphysics.bsky.social's open access journal for cutting-edge research across physics and adjacent fields
Physical Review Letters @physrevlett.aps.org The world’s most-cited journal in multidisciplinary physics.
Héctor Corte-León @hcorteleo.bsky.social AFM expert at Nanosurf.
Follow #fridayAFM for fun experiments.
Proofig AI @proofigai.bsky.social Proofig AI: Image Proofing & Integrity software for scientific publications. Automatic detection of manipulation, duplication, plagiarism & AI-generated images.
proofig.com
Filippo Bigi @filippobigi.bsky.social PhD student at EPFL, working on machine learning for physics, chemistry and materials
PhysChemAadhil @dil-exe.bsky.social Science. Humanity.
IMDEA Nanoscience, Madrid
Owen Maresh @graveolens.bsky.social Mathematics Sorceror (sensory alchemist) at the Arctangent Transpetroglyphics Algra Laboratory (ATAL), I transflarnx mathematics into living rainbows. http://owen.maresh.info https://github.com/graveolensa,
Psoepbe-Tlaxtlal; (an undreamt splendour?)
@alexguest.bsky.social @alexguest.bsky.social 
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
Nicolas Bergmann @zausibergmann.bsky.social 
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
@hannatuerk.bsky.social @hannatuerk.bsky.social 
Vojtech Spiwok @spiwokv.bsky.social Molecular modeling, simulations, metadynamics, machine learning
Rohit Goswami @rgoswami.me Computational chemist with a Bayesian taint. Working on foundational cross-language tools at @labcosmo.bsky.social.
More @ https://rgoswami.me
Matthias Kellner @matthiaskellner.bsky.social PhD student in @labcosmo.bsky.social
Statistico @hamzahrache.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
Albert Vilella, PhD. @albertvilella.bsky.social Bioinformatics Scientist / Next Generation Sequencing, Single Cell and Spatial Biology, Next Generation Proteomics, Liquid Biopsy, SynBio, AI/ML in biotech // http://albertvilella.substack.com
Michael Bronstein @mmbronstein.bsky.social DeepMind Professor of AI @Oxford
Scientific Director @Aithyra
Chief Scientist @ProximaBio
ML Lead @ProjectCETI
geometric deep learning, graph neural networks, generative models, molecular design, proteins, bio AI, 🐎 🎶
Martin Bauer @martinmbauer.bsky.social I'm a theoretical physicist at Durham University 
Carlo Camilloni @carlocamilloni.bsky.social Associate professor at the University of Milano.
Biophysics and computational structural biology.
https://compsb.unimi.it
Developer @plumed.org
https://orcid.org/0000-0002-9923-8590
Massimo Delle Piane @massimodellepiane.bsky.social Assistant professor (RTDb) in Theoretical Physics of Matter
Department of Applied Science and Technology (DISAT)
Politecnico di Torino, Italy
https://www.gmpavanlab.com
Giovanni Bussi @bussigio.bsky.social Full professor at SISSA, msb.sissa.it group | Group leader @bussilab.org | Founder and developer @plumed.org
Prof. F.L. Gervasio Research Group @gervasiolab.bsky.social We are the biomolecular and pharmaceutical modelling laboratory directed by Prof. Gervasio at Uni Geneva and UCL London. We develop enhanced sampling algorithms and perform simulations on systems bio-pharmaceutical interest (GPCRs, kinases, ...)
Marco De Vivo @marcodevivo.bsky.social Lab Head & Associate Director at @IITalk. Exec Editor of JCTC (@ACSPublications). Director http://www.cecamsimul.eu. Co-Founder @IAMABiotech. Passionate about science!
Michele Invernizzi @invemichele.bsky.social Computational physicist at https://peptone.io
PhD @GroupParrinello, PostDoc @franknoe.bsky.social
Disordered Proteins, AI for Science, Molecular Dynamics, Enhanced Sampling
🔗 https://scholar.google.com/citations?user=fnJktPAAAAAJ
PLUMED @plumed.org #PLUMED is a plugin for enhanced sampling and analysis of #moleculardynamics simulations | plumed.org
Simone Martino @simonemartino.bsky.social PhD Student - Politecnico di Torino
Matt Fuchter @fuchtermatt.bsky.social Professor of Chemistry at the University of Oxford and Sydney Bailey Fellow at St. Peter’s College Oxford. Founder, NK:IO Ltd.
Materials ⬅️ Molecules ➡️ Medicines.
Fan of switches + chirality science.
https://www.chem.ox.ac.uk/people/matthew-fuchter
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.
Guillaume De Bo @guillaumedebo.bsky.social Mechanochemist and Molecular Machinist. Professor of Organic Chemistry at the University of Manchester.🇧🇪 in 🇬🇧.
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
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
Claudia Bonfio @claudiabonfio.bsky.social University Associate Professor at the Department of Biochemistry in Cambridge (UK), exploring life’s origins one cell (compartment) at a time.
http://bonfiolab.eu Views my own.
Micaela Matta @micaelamatta.bsky.social #compchem | organic semiconductors | functional biomaterials | polymers | @mdanalysis core dev | made in Sardinia 🏳️🌈 she/her
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
Olexandr Isayev 🇺🇦 🇺🇸 @olexandr.bsky.social Chemistry professor at CMU. Connecting chemical sciences with AI #MachineLearning and automated experimentation. #tarheels fan. Care: #design, #photography #Ukraine #cats🐈 Rants are mine
Francesca Grisoni @fragrisoni.bsky.social Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
@profvlilienfeld.bsky.social @profvlilienfeld.bsky.social 
Frank Noe @franknoe.bsky.social Scientist, #MachineLearning and #AI for Moleculear Sciences. Scuba Diver. Loves @cecclementi.bsky.social
Christoph Dellago @chhdellago.bsky.social Physicist, professor @univie.ac.at, computational physics, statistical mechanics, machine learning, soft matter, biking, hiking, skiing, *320 ppm. 🇪🇺
Cecilia Clementi @cecclementi.bsky.social Scientist & Scuba Diver - I love theoretical physics, sharks, and pygmy seahorses - http://www.instagram.com/clementicecilia - http://www.physik.fu-berlin.de/en/einrichtungen/ag/ag-clementi
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.
Fabio Affinito @fabioaffinito.bsky.social 
@salanne.bsky.social @salanne.bsky.social Physical chemist @Sorbonne, currently at @CNRS@CREATE (Singapore) | executive editor @ACSNano | Working on energy production and storage
John Gardner @jla-gardner.bsky.social ML for Potential Energy Surfaces
PhD student at Oxford
Former Microsoft AI4Science Intern
Bianca Pasca @biancapasca.bsky.social DPhil student looking at ML methods for studying functional materials in VLD Group at Uni of Oxford. Currently focusing on perovskite solar cells. Reader, writer of sorts, loves scicom, sports and nature.
Angewandte Chemie @angewandtechemie.bsky.social Angewandte Chemie, a journal of the German Chemical Society (@gdch.de), is a leading journal in #chemistry published by Wiley-VCH (@wiley.com) in Weinheim, Germany
https://onlinelibrary.wiley.com/journal/15213773
Bussi Lab @bussilab.org Research group lead by @bussigio.bsky.social at SISSA | #RNA, #moleculardynamics, and more | web: http://bussilab.org
Tulga-Erdene Sodjargal @tulga-rdn.bsky.social Mongolian, machine-learned interatomic potentials and cellular biophysics
Mark Tuckerman @grouptuckerman.bsky.social We perform research in theoretical chemistry, specifically classical and quantum statistical mechanics, mathematical approaches, and machine learning methods applied to condensed phases.
Riccardo Capelli @riccardocapelli.bsky.social a physicist with a kink for computational chemistry. Associate professor at the University of Milan. http://compsb.unimi.it
Andrea Vezzoli @skeja24.bsky.social Chemistry professor, Royal Society URF & amateur musician. Electrocuting molecules since 2011. Sometimes making music with them.
https://pcwww.liv.ac.uk/~skeja/
Mattia Perrone @mattia-perrone.bsky.social Ph.D. student @GMPlab, Politecnico di Torino, Department of applied science and technology
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)
Tim Duignan @timothyduignan.bsky.social Researcher at Orbital Materials. Working on molecular simulation with ML for chemical engineering applications.
Ming Tommy Tang @tommytang.bsky.social Director of bioinformatics at AstraZeneca. subscribe to my youtube channel @chatomics. On my way to helping 1 million people learn bioinformatics. Educator, Biotech, single cell. Also talks about leadership.
tommytang.bio.link
Emily Hunt @emily.space Postdoc @univie.ac.at working on star clusters & machine learning.
Also: open web developer & enthusiast, working on @astrosky.eco and more
🏳️🌈 🏳️⚧️ (she/her), Ⓥ
Website: https://emily.space
GitHub: https://github.com/emilyhunt
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)
Davide Donadio @davidedonadio.bsky.social Skier (good), Climber (mediocre), Scientist (for work) @nanophononics on the other platform
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
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
Willem Sas @willemsas.bsky.social Prof in economics at UHasselt & Stirling, affiliated at KU Leuven, CESifo & UCLouvain.
Behavioural economics | public finance | (EU) federalism
Sander Vandenhaute @sanderhaute.bsky.social Computational physics/chemistry, and some ML
prev: PhD @ Ghent University 🇧🇪, AI researcher @ Orbital Materials 🇬🇧
now: postdoc @ Rotskoff group (Stanford University)
Henke Group @henkegroup.bsky.social Home at the Dept. of Chemisty and Chemical Biology, TU Dortmund
http://www.ccb.tu-dortmund.de/henke
Functional porous materials, MOFs. Flexible, responsive, crystalline, amorphous, glassy...
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
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
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
Peter Kenny @pwk2024.bsky.social Slayer of soucouyants but terrified of douens, centipedes and ceiling fans
Blog (Molecular Design): https://fbdd-lit.blogspot.com/
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
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
Mariana Rossi @mahrossi.bsky.social Brazilian, mother, scientist. Living in Hamburg. Surviving in science ;-)
@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
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.
Andras Kis @andraskis.bsky.social Professor at EPFL, https://lanes.epfl.ch
Handle from the other network: @andras_ks
ORCID: 0000-0002-3426-7702
@rlaplaza.bsky.social @rlaplaza.bsky.social Quantum chemist turned machine learning enjoyer. Curious about most things!
Giuseppe Carleo @gppcarleo.bsky.social Computational Quantum Physicist - EPFL Lausanne, Switzerland 
Lucie Delemotte @delemottelab.bsky.social Computational biophysicist, prof at KTH, Stockholm. Loves membrane proteins and mathematical models. Mom of twin toddlers. 🇫🇷🇸🇪
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
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
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 🇬🇧🇹🇼🇪🇸
Aron ⇋ e⁻ @aronwalsh.github.io Virtual Chemist; Liúdramán; Personal Opinions
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
Jennie Martin @jennieemartin.bsky.social Senior research assistant investigating crystal structure prediction at University of Southampton | Ice hockey and model scenery fan
🧑🔬 💻 🏒
Lorenzo Cupellini @lcupellini.bsky.social Theoretical and computational chemist, young researcher. Piano and photography enthusiast.
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 🇲🇽🇺🇸
Piero Gasparotto @pgaspa.bsky.social AI4Science @ Microsoft Quantum
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.
Paola Gori Giorgi @paolagorigiorgi.bsky.social Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
marcel ⊙ @marceldotsci.bsky.social Trying to build better machine-learning surrogate models for DFT. Postdoc @ COSMO Lab (EPFL) 👨🏻🚀.
https://marcel.science
Stefano Sanvito @ssanvito.bsky.social Professor of theoretical/computational Physics at Trinity College Dublin, Director @cranntcd, Member of @royalirishacademy.bsky.social
Günter Klambauer @gklambauer.bsky.social Deep Learning researcher | professor for Artificial Intelligence in Life Sciences | inventor of self-normalizing neural networks | ELLIS program Director
Alessandra Magistrato @magistratolab.bsky.social Research Director, CNR-IOM @ SISSA,
Head of Laboratory for Computational Chemistry and Biochemistry
http://magistratogroup.wordpress.com
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
@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.
@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