Chemistry World @chemistryworld.com Chemistry: Covered. The latest news, research, features and opinion from across the chemical sciences. Published by the Royal Society of Chemistry.
https://www.chemistryworld.com/
Virtual Winter School on Computational Chemistry @vwscc.bsky.social 🧪💻 The Virtual Winter School on Computational Chemistry (VWSCC) is a global online event featuring expert lectures, workshops, panels, and research presentations. Perfect for learning & sharing in computational chemistry!
---
https://winterschool.cc/
Avogadro Project @avogadro.cc Advanced molecule editor and visualizer
Building the next generation of molecular and materials visualization and editing tools
https://avogadro.cc/
https://discuss.avogadro.cc/
YC Lin @yiechanglin.bsky.social Boya Postdoctoral Fellow @PKU | formally @corrylab.bsky.social, ANU
MD simulations of lipids and membrane proteins
Like PIP2, I am negatively charged in the head 
Kresten Lindorff-Larsen @lindorfflarsen.bsky.social Protein and coffee lover, father of two, professor of biophysics and sudo scientist at the Linderstrøm-Lang Centre for Protein Science, University of Copenhagen 🇩🇰
Rommie Amaro @rommieamaro.bsky.social Professor at UC San Diego. Computational biophysics, biology, chemistry. Multiscale modeler. Viruses. Cancer. Co-Director of the Airborne Institute.
bioRxiv Biophysics @biorxiv-biophys.bsky.social 
Syma Khalid @sykhalid.bsky.social Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. LFC fan 🌈
Phill Stansfeld @pstansfeld.bsky.social Professor of Computational Biochemistry. School of Life Sciences & Department of Chemistry, University of Warwick. Molecular Modeller of Membrane Proteins, Bacterial Biogenesis & Antimicrobial Resistance.
Justin Lemkul @justinlemkulvt.bsky.social Associate Professor of Biochemistry at Virginia Tech. Comp Chem, CADD, and Drude FF contributor. Opinions my own. Go Hokies!
Robin Corey @robincorey.bsky.social Assistant Professor in Pharmacology at University of Bristol | GPCRs and ion channels | molecular modelling and simulation | drugs and lipids
Lucie Delemotte @delemottelab.bsky.social Computational biophysicist, prof at KTH, Stockholm. Loves membrane proteins and mathematical models. Mom of twin toddlers. 🇫🇷🇸🇪
Sarah Piper @sarahjpiper.bsky.social Postdoctoral Researcher @MIPS Monash Uni in Melbourne. Interested in GPCR 🧠cryoEM ❄🔬 SciVis🔎💡🎨 Views and Arts are my own. Founder of @PiperProteins | PiperProteinProductions
She/her
Phil Biggin @philbiggin.bsky.social Computational biochemist, interested in neuronal signalling at the atomic level and computer-aided drug design. All views my own.
bigginlab.web.ox.ac.uk
@corrylab.bsky.social @corrylab.bsky.social Computational protein research group of Prof Ben Corry.
We love molecular dynamics and all kinds of membrane proteins including ion channels, transporters and immune receptors
~Posts by group members
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
Miro Astore @miroastore.bsky.social Postdoc @rockefeller. Making cryoEM into a tool for RNA biophysics one molecule at a time.
Fiona Naughton @explainedbycats.bsky.social 
Chelsea Brown @chelseabrown.bsky.social Postdoctoral researcher in the Lewandowski, Stansfeld and Dowson labs @ Warwick | Former postdoctoral researcher in the Marrink lab @ Groningen University | Views are my own | She/her 🏳️🌈
https://orcid.org/0000-0003-2006-5015
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..?
Ciara Wallis @ciarawallis.bsky.social PhD Student at the Corry Lab, ANU
Enjoyer of pentagonal proteins, MD simulations, parasites, and frogs :))
Ladislav Bartos @ladme.bsky.social Doing computational biochemistry and scientific software development at CEITEC, Masaryk University.
github.com/Ladme
Fabio Lolicato @fabiololicato.com Group Leader at the Heidelberg University Biochemistry Center (BZH)
A computational physicist lost into a biochemistry Lab.
Find me on Mastodon:
@fabiolol@scientificnetwork.de
https://fabiololicato.com
Ruitao Jin 金瑞涛 @riottowow.bsky.social Postdoc at the Australian National University, molecular dynamics
Matteo Paloni @betterwithchem.bsky.social PDRA at MME-UCL, previously PD at CBS-Montpellier ( @cbsmontpellier.bsky.social). Interested in MD simulations of order and chaos.
https://scholar.google.com/citations?user=fK55KfEAAAAJ&hl=en
Ashutosh Kumar @mudgal17.bsky.social PhD student at UniFr Switzerland | Phase separation | Computational Bio-physics/chemistry
Martin Vögele @martinvoegele.bsky.social Computational Biophysicist, Amateur Photographer, History+Language Nerd.
All views my own.
Website: https://martinvoegele.github.io/
Dheeraj Prakaash @dheerajprakaash.bsky.social Comp #Biophysics #Biochemistry
Multiscale #simulations of #biomolecules
#Postdoc (2025-P): Bidone group
@sci.utah.edu @utah.edu
#Postdoc (2022-24): Khalid group
#Oxford Uni @ox.ac.uk
#PhD (2019-22): Kalli group
@universityofleeds.bsky.social
Lars Bock @larsvbock.bsky.social Theoretical and computational physicist working on ribosomes and antibiotics - atomistic simulations, statistical physics and ML. Project leader at the MPI for Multidisciplinary Sciences
https://t.co/1ecLGaOjXB 🚴
Sukrit Singh @sukritsingh92.bsky.social Biophysicist｜Damon Runyon QB & NCI Early Stage K99/R00 Fellow at MSKCC w/ @jchodera.bsky.social | @foldingathome.org | PhD with @drgregbowman.bsky.social | Variant Effects, Protein dynamics, Dogs, Games 🇮🇳🇸🇬🇺🇸
My website: https://sukritsingh.github.io
Jenchem @jen-chem.bsky.social Structural biologist and computational chemist in love affair with nuclear regulation and biomolecular condensation.
Dan Gezelter @gezelter.bsky.social Thinks about chemical education, theoretical chemistry, open science, molecular dynamics, and ice. The first “Dr. Who” for the Jmol team, Bagpiper, Dad. Chemistry Professor & Department Chair @ University of Notre Dame. Posts are my own.
Miranda-Quintana group @groupquintana.bsky.social RamO(N) Miranda Quintana
Theoretical and Computational chemistry
https://quintana.chem.ufl.edu/
#chemsky #compchemsky
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)
Marcos Veríssimo Alves @mverissi.bsky.social Solid-state computational physicist turned theoretical enzymologist/computational chemist. Cat dad of three.
Max Epstein @donmeps.bsky.social Computational chemist in NYC
James Stevenson @allaboutchemist.bsky.social Research engineer for CBRN (chemical, biological, radiological, and nuclear) responsibility at Google DeepMind.
Machine learner and quantum mechanic.
https://orcid.org/0000-0003-0950-7775
Lexin Chen @lexinc.bsky.social building tools to accelerate drug discovery.
🔗 https://lexin-chen.github.io/
Böckmann Lab @biomemphys.bsky.social BioMemPhys – Theoretical & Computational Membrane Biophysics, Professor at Friedrich-Alexander University Erlangen-Nürnberg, Germany – loving biomembranes - immunology - immune domains - plasma membranes - molecular dynamics 
Schrödinger Inc. @schrodingerinc.bsky.social Transforming drug discovery and materials research.
Diego del Alamo @delalamo.xyz Computational protein engineering & synthetic biochemistry at Takeda
Opinions my own
https://linktr.ee/ddelalamo
Patrick Charchar @pcharchar.bsky.social Researcher at RMIT University 🇦🇺 employing molecular dynamics 💻 to explore nano-bio interfaces. ✨️
Alessandro Nicoli @anicoli90.bsky.social 💻 Computational chemist who loves to understand how biomolecules interact at the molecular level
📍 Molecular Modeling Group at the Leibniz Institute at the Technical University of Munich (DE)
Dimitris Kolokouris @dimkol94.bsky.social ⚪️ Structural Biochemist studying Membrane Transport in Metabolic and Neuronal Disorders @UCPH
⚪️ CryoEM❄️🔬 comp. biophysics 🖥️ biochemistry🧪
⚪️ PhD at Oxford in Structural Biology | Newstead Lab
⚪️ blues player 🎸 and dad music enthusiast
Paulo C. T. Souza @pauloctsouza.bsky.social Martini developer trying to make CG models more useful for molecular design and drug/vaccine delivery 🖥️+🍸=💊💉 | Group leader at CBPsmn/ENS de Lyon | CNRS Researcher at DAMM team of LBMC/ENS de Lyon | Scientific consultant
Vanni Lab at UNIFR, Switzerland @labvanni.bsky.social Computational biophysics and other amenities...
"More thinking and less pipetting"
Nathalie Reuter @nathaliereuter.bsky.social Prof at U. of Bergen. Française and Norsk. Molecular modelling and protein bioinformatics. Membrane proteins are my favorites. Mother of two girls.
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.
Mohsen Sadeghi @mohsensadeghi.bsky.social computational physicist, pretending to do bio/neuro stuff.
Staff Scientist at @zuseinstitute.bsky.social
Opinions expressed are solely my own.
https://mohsensadeghi.github.io
https://linkedin.com/in/drmohsensadeghi
Elena Papaleo @elenapapaleo.bsky.social Associate Professor, Technical University of Denmark
Group Leader, Danish Cancer Institute
Sara Gabrielli 💻🧬 @saragabrielli.bsky.social Post-Doc in the Department of Theoretical and Computational Biophysics at Max Planck Institute for Multidisciplinary Sciences | MD simulations of the rib-awe-some 💻🔍🧬
Manuel N. Melo at ITQB NOVA @melolab.bsky.social Using computers to solve biochemical challenges. All the fun, none of the dishwashing!
https://www.itqb.unl.pt/labs/multiscale-modeling
Michelle McCully @mccullylab.bsky.social The McCully Lab at Santa Clara University studies the structure, dynamics, and function of proteins towards designing better ones.
sites.google.com/site/mccullylabscu
BS WashU | PhD UW | Postdoc UCSF | Assoc prof SCU
Acamama, PUI, family biking, Bay Area
Taras Pogorelov @taraspogorelov.bsky.social Theoretical & computational biophysics. Molecular information transfer in the cell. In-cell signaling, protein, membrane & lipid dynamics. Complex environments.
Lab @UIUC: pogorelov.mcb.illinois.edu
Erik Poppleton @floppleton.bsky.social Postdoc working on RNA Nanotech & MD simulations @uniheidelberg.bsky.social & MPIP. GROMACS wrangler, oxDNA developer, @molpigs.bsky.social podcast host, and all around weird lil guy.
Has been known to post about music and neat bugs found in the woods.
Nature Chemistry @natchem.nature.com A chemistry journal for cutting-edge research and analysis from @natureportfolio.nature.com. Account run by @nchemgav.bsky.social and @joansp.bsky.social
https://www.nature.com/nchem/
Universidade Federal de Santa Maria @ufsm.bsky.social www.ufsm.br
👩🏻🎓Venha viver esta experiência
📱 Atualizações: Unicom
#SouUFSM #DaquiParaOMundo
Universidade de Brasília @unb-oficial.bsky.social #TMJ pra fazer a diferença✌️
Ensino Superior público, gratuito e de qualidade é aqui.
Campus Universitário Darcy Ribeiro, Brasília, Brazil 70910-900
https://linktr.ee/unboficial
UFSCar - Universidade Federal de São Carlos @ufscar.bsky.social Conheça mais a UFSCar: https://www.ufscar.br/
Universidade Federal do Rio de Janeiro @ufrjoficial.bsky.social Conta oficial da Universidade Federal do Rio de Janeiro
USP - Universidade de São Paulo @uspoficial.bsky.social A USP é uma universidade pública, mantida pelo Estado de São Paulo e vinculada à Secretaria de Estado de Desenvolvimento Econômico, Científico e Tecnológico.
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
Leonardo Duarte @ljduarte.bsky.social Ph.D. in Theoretical Chemistry. Interested in all fields of natural sciences and technology. Postdoc at @iq_usp
Gabriel C.A. da Hora @gabedahora.com Computational Chemist | Ph.D. | Postdoc Researcher
I harness computational power to unlock the secrets of biomolecules.
"Sou de Pernambuco, eu sou o Leão do Norte!"
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.
Universität Wien / University of Vienna @univie.ac.at Offizieller Account der Uni Wien / Official account of University of Vienna.
Es postet http://communications.univie.ac.at 💬
Impressum: http://go.univie.ac.at/impressum Netiquette: http://go.univie.ac.at/netiquette
Bettina Keller @bettinagkeller.bsky.social Theoretical and Computational Chemistry, Professor @FU_Berlin
COSMO Lab @labcosmo.bsky.social Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning.
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
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
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/
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
Mario Barbatti @mbarbatti.bsky.social Professor of theoretical chemistry / molecular physics at Aix Marseille University. Member of Institut Universitaire de France. Newton-X designer.🧪
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
Jan H. Jensen @janhjensen.bsky.social Computational chemist at the University of Copenhagen #compchem
limmerlab @limmerlab.bsky.social Theoretical chemistry group UCB_Chemistry, working in the areas of quantum dynamics and nonequilibrium statistical mechanics http://www.cchem.berkeley.edu/dtlgrp/
PhotoCatLab@LIKAT @peppellab.bsky.social Implementation of reliable, reproducible experimental tests for photocatalytic CO2 reduction as a basis to unravel the mechanistic details.
https://www.catalysis.de/en/research/photocatalysis/photocatalytic-co2-reduction/
Jakob Kottmann @kottmann.bsky.social quantum algorithmics @UniAugsburg
https://www.uni-augsburg.de/de/fakultaet/fai/informatik/prof/qalg/
Posts are not always my own
Ralf Tonner-Zech @ralftonner.bsky.social Professor for Theoretical Chemistry at UniLeipzig 
Cristina Trujillo @trujillo-group.bsky.social Computational Organic Chemist
@University of Manchester #CompChem 💻 ⚛️ #Catalysis
🇪🇸 → 🇬🇧 | Mum of 3 boys 🤩
Cyclist 🚴♀️ | Yogi 🧘♀️ | Amateur cook
Rock music fan 🎸
🔗 https://trujilloresearchgroup.com/
Sebastian Kozuch Comp Chem 🎗️ @kozuchsebastian.bsky.social Chemistry Prof. at Ben-Gurion University of the Negev
Quantum, Catalysis, Tunneling and the Chemical Bond.
Plus some other stuff loosely connected with science and the academy.
ACS Publications @pubs.acs.org ACS Publications is proud to publish the most trusted, most cited, and most read collection of journals in the chemical and related sciences.
Explore ACS Publications, a division of @acs.org: pubs.acs.org
Robert Paton @bobbypaton.bsky.social Robert Paton | Fixman-Ladanyi Professor of Chemistry at Colorado State University | #compchem | http://linktr.ee/patonlab | 🇬🇧🇺🇸
@orca-qc-official.bsky.social @orca-qc-official.bsky.social 
Ataualpa Braga @atabraga.bsky.social Químico computacional. Professor IQ/USP (https://rb.gy/rk74qq). Corinthiano, culé e casteller (jovedetarragona.cat).
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
Guilherme M. Arantes @garantes.bsky.social Professor & Scientist @uspoficial.bsky.social 🇧🇷. Visiting @mit.edu. Scholar @ieausp.bsky.social. Computational (bio)chemistry and biophysics.
Web: http://gaznevada.iq.usp.br
🐦 : x.com/ArantesLab
🎵 : www.dinamicas.art.br
Guia dos Entusiastas da Ciência 🧪 @guiaeciencia.bsky.social Vem conhecer o blog de divulgação científica mantido por professores e alunos da UFABC.
https://gec.proec.ufabc.edu.br
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 Piquemal Group @piquemalgroup.bsky.social Theoretical Chemistry research group @lct-umr7616.bsky.social, Sorbonne Université & CNRS| Led by Prof. Piquemal (@jppiquem.bsky.social)|
#compchem #HPC #MachineLearning #quantumcomputing
Website: https://piquemalresearch.com
Paula 🧪 @paulahmello.bsky.social 
Clemence Corminboeuf @corminboeuf-lab.bsky.social Head of the Computational Molecular Design Laboratory at @EPFL-chem. Mom of two girls. #comp
Juan Carlos Sancho-García @quantumalicante.bsky.social **Quantum & Computational Chemistry
#compchem #theochem #DFT 💻🌍💭
**Scientist and Senior Lecturer at University of #Alicante, Spain. 🇪🇸☀️🥘🍤🍊⛵️⛱️
**Editor-in-Chief of Theor. Chem. Acc. (founded in 1962, the oldest journal in our field) Views are my own
Werner Dobrautz @dobrautz.bsky.social DRESDEN-concept Research Group Leader at the Center for Advanced Systems Understanding (CASUS) / HZDR and the Center for Scalable Data Analytics and Artificial Intelligence (ScaDS.AI) / TU Dresden
Royal Society of Chemistry @rsc.org With the future of the world in the balance, everyone has a role to play in making it better. How will you join in?
🌐 Website: www.rsc.org
Susan Quinn @susanjquinn.bsky.social Prof of Chemistry at UCD, intrigued by light and molecules, DNA interactions, nanomaterials and an avid collaborator
Sebastian Mai @sebastian-mai.bsky.social Senior scientist with @letigonzalez at University of Vienna, SHARC and iStOMPS enthusiast
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
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
Amanda Morris @profamo.bsky.social Professor of Chemistry at Virginia Tech - researching MOFs for artificial photosynthesis. The opinions shared here are my own. (She/her) 🏳️🌈👩🔬