Sam Blau
Research scientist & computational chemist at Berkeley Lab using HT DFT workflows, machine learning, and reaction networks to model complex reactivity.
@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
@alexxthiery.bsky.social
Associate Prof. in ML & Statistics at NUS 🇸🇬 MonteCarlo methods, probabilistic models, Inverse Problems, Optimization https://alexxthiery.github.io/
@fernandoperez.org
Open source, open science, AI in science for earth/ice and healthcare. IPython creator, @projectjupyter.bsky.social and 2i2c.org co-founder. Prof @ UC Berkeley Stats, director of @ucbids.bsky.social, co-director @schmidtdse.bsky.social; LBL scientist.
@xie-tian.bsky.social
Principal Research Manager & Project lead @ Microsoft Research AI for Science; AI for materials; Previously @ MIT, DeepMind, Google X. Views my own.
@rociomer.bsky.social
Assistant professor in Data Science and AI at Chalmers University of Technology | PI: AI lab for Molecular Engineering (AIME) | rociomer.github.io
@thglab.bsky.social
Student-run THG Lab account @UC Berkeley. We develop physics-based and machine learning-based models for various systems.
@simonsinstitute.bsky.social
The world's leading venue for collaborative research in theoretical computer science. Follow us at http://YouTube.com/SimonsInstitute.
@timothyduignan.bsky.social
Researcher at Orbital Materials. Working on molecular simulation with ML for chemical engineering applications.
@chemicalscience.rsc.org
Flagship journal for @rsc.org, open access with no publication fee, all topics in chemistry. chemicalscience-rsc@rsc.org Celebrating our 15th year in 2025! 🌐 Website: rsc.li/chemscience
@achira-ai.bsky.social
Achira is building atomistic foundation simulation models to power the future of drug discovery. http://achira.ai
@aydozz.bsky.social
Senior Scientist (Computing) at Lawrence Berkeley Lab, Adjunct Faculty (EECS) at UC Berkeley. https://people.eecs.berkeley.edu/~aydin/
@joshrackers.bsky.social
It's not what you look like when you're doin what you're doin- it's what you're doin when you're doin what you look like you're doin
@esnet.bsky.social
ESnet is the U.S. Department of Energy's data circulatory system, its high-performance network linking the national labs, supercomputing facilities, & scientific instruments to accelerate scientific research. Stewarded by @berkeleylab.lbl.gov
@thematterlab.bsky.social
The materials for tomorrow, today. We are the Matter Lab at the University of Toronto, led by Professor Alán Aspuru-Guzik. Our group works at the interface of theoretical chemistry with physics, computer science, and applied mathematics.
@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.
@yzimmermann.bsky.social
Exploring how the smallest shapes the biggest @ ETH Zurich. Somewhere between Physics, Chemistry, and ML.
@pfaendtner.bsky.social
Dean of Engineering, Faculty, Mental health advocate, @JPhysChem senior editor, PS5 enthusiast, fantasy/sci-fi, CrossFit.
@geoffnegiar.bsky.social
Co-founder @forecastingco. Previously PhD UC Berkeley @berkeley_ai, @ENS_ParisSaclay (MVA) and @polytechnique 🇫🇷 🇺🇸 | 👊🥋
@semodi.bsky.social
Machine learning researcher and engineer @ D. E. Shaw Research. QM and ML force fields.
@emorychannano.bsky.social
Staff Scientist, The Molecular Foundry, Lawrence Berkeley National Laboratory. Nanoparticles, materials, robotics https://combinano.lbl.gov @molecularfoundry.bsky.social @berkeleylab.lbl.gov
@stephanhoyer.com
Building AI climate models at Google. I also contribute to the scientific Python ecosystem, including Xarray, NumPy and JAX. Opinions are my own, not my employer's.
@cesapo.bsky.social
Chemist, Photography enthusiast, and Musician. Business Developer #AI #ML Reaction optimization #FutureLeader18 #RealTimeChem (He/Him) #LatinX
@graeme-w-watson.bsky.social
Chair of Theoretical Chemistry and Head of the School of Chemistry at Trinity College Dublin
@fap89.bsky.social
PhD in Computational Chemistry. Associate Professor and Researcher at UNIR. Catalysis • Bioinformatics
@anunesalves.bsky.social
Computational biochemist (ligand binding kinetics, crowding) Junior group leader at the Technical University Berlin Associate editor at the Journal of Chemical Information and Modeling Brazilian in Germany
@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.
@elisedd.bsky.social
CNRS researcher working at the Laboratoire de Biochimie Théorique (LBT), in the Institut de biologie physico chimique (IBPC) in Paris. #RNA #Enzymes #compchem #molecularSimulations
@micaelamatta.bsky.social
#compchem | organic semiconductors | functional biomaterials | polymers | @mdanalysis core dev | made in Sardinia 🏳️🌈 she/her
@sukritsingh92.bsky.social
Biophysicist｜Damon Runyon QB & NCI Early Stage K99/R00 Fellow at MSKCC w/ @jchodera.bsky.social | Team @foldingathome.org | PhD with @drgregbowman.bsky.social | Drug resistance, Protein dynamics, Dogs, Games My website: https://sukritsingh.github.io
@sacquin-mo.bsky.social
CNRS research director modelling #Proteins. Lab. Biochimie Théorique UPR9080, IBPC #WomanInSTEM Website: http://www-lbt.ibpc.fr/people/sacquin Popularization blog (in french): https://topoftheprots.com/
@sykhalid.bsky.social
Prof of Computational Microbiology. Oxford Biochemistry & St Anne’s College. Bacterial Cell Envelopes. LFC fan 🌈
@garantes.bsky.social
Professor & Scientist @uspoficial.bsky.social 🇧🇷. Computational (bio)chemistry and biophysics. 👨👩👧👦 Father of 2. ⚽ Corinthians Web: http://gaznevada.iq.usp.br SciComm: https://eq5e.short.gy/mkwHIV 🐦 : x.com/ArantesLab 🎵 : www.dinamicas.art.br
@mattschap.bsky.social
Prof @ U. Toronto - PI @ SGC - CACHE challenges - Computational chemistry- Structural bioinformatics - Biophysics
@rolanddunbrack.bsky.social
Computational structural biologist @Fox Chase Cancer Center. Gay, out & proud since 1986. I support transgender & nonbinary people. Living with CLL/SLL. Video about my LGBTQ+ life in science: https://tinyurl.com/45srzjdw. Views my own, not my employer's.
@meaganoakley.bsky.social
never met an actinide I didn't like 🇨🇦👩💻⚛ DKO Research Fellow and computational chemist @ University of Manchester
@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 🇧🇪
@jonasbostrom.bsky.social
Seasoned drug designer. Former Big Pharma (AZ). Leading Cheminformatics & Data Science team in US biotech (Treeline). Based in Göteborg, Sweden.
@chorye.bsky.social
Assistant professor @ Duke University BME, guerilla knitter, pipettor of small volumes of liquid. Biologist masquerading as engineer, or the other way around.
@hartreefocker.bsky.social
Digital (& formerly NMR) Sciences at Merck; comp chemist; firefighter; MN alum; Midwest born. It turns out, if you dress as Cameron Frye at Mickey's Not-So-Scary Halloween Party, people love it https://www.linkedin.com/in/ed-sherer-b6b5994
@fragrisoni.bsky.social
Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
@hannahbruce.bsky.social
Computational Chemist Charm Tx Eats food, runs places, sits on sofa
@robincorey.bsky.social
Assistant Professor in Pharmacology at University of Bristol | GPCRs and ion channels | molecular modelling and simulation | drugs and lipids
@mdpoleto.bsky.social
Computational Biochemist @uspoficial.bsky.social - Molecular simulations | Drude Polarizable FF | Enzyme engineering | Sustainability ♻️. Trying to grow my own agroforestry system 🌳🫒. he/him 🇧🇷 https://mdpoleto.github.io/
@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