marcel ⊙
Trying to build better machine-learning surrogate models for DFT. Postdoc @ COSMO Lab (EPFL) 👨🏻🚀.
https://marcel.science
@jppiquem.bsky.social
Professor of Theoretical Chemistry @sorbonne-universite.fr & Head @lct-umr7616.bsky.social| Co-Founder & CSO @qubit-pharma.bsky.social| FRSC (My Views) #compchem #HPC #quantumcomputing #machinelearning | https://piquemalresearch.com | https://tinker-hp.org
@ppegolo.bsky.social
@skainswo.bsky.social
prev: @BrownUniversity, @uwcse/@uw_wail phd, ex-@cruise, RS @waymo. 0.1x engineer, 10x friend. spondyloarthritis, cars ruin cities, open source
@rdkbio.bsky.social
🧬 Structural Bioinformatics | 💊 AI/ML for Drug Discovery | Geometric DL 🔬 @iocbprague.bsky.social, prev. PhD @cusbg.bsky.social @mff.unikarlova.cuni.cz @charlesuni.cuni.cz
@ethanholz.com
Research Software Engineer @omsf.io Professionally building better infrastructure for molecular software Building new tools for molecular software in my free time in Rust and Zig Thoughts my own ethanholz.com twitch.tv/ninja_tron
@rmeli.bsky.social
RSE at CSCS (Swiss National Supercomputing Center) | MDAnalysis Core Developer | JOSS Editor | Interested in #HPC, Computational Chemistry, and Materials Science
@winfried-ripken.bsky.social
PhD Student @ TU Berlin @BIFOLD working on ML applications for chemistry
@barakhirshberg.bsky.social
#MolecularSimulations | Asst. Prof. Tel Aviv University | PostDoc: Rothschild Fellow, Parrinello group, ETH Zurich | PhD: Adams Fellow, w/Benny Gerber, Hebrew University | #newPI
@claudiozeni.bsky.social
Applying machine learning to challenges in materials science. Senior Researcher at Microsoft research AI for Science. Views are my own
@sophie.huiberts.me
linear programming enthusiast. investigator of evil science. haunted by beans. she/her
@titouloos.bsky.social
CNRS senior research at the Laboratoire de Chimie et Physique Quantiques in Toulouse (France) interested in electronic structure theory & excited states
@timothyduignan.bsky.social
Researcher at Orbital Materials. Working on molecular simulation with ML for chemical engineering applications.
@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
@sirmarcel.bsky.social
in passage through all spheres web: marcel.computer work: @marceldotsci.bsky.social
@vahidehalizadeh.bsky.social
@jonkhler.argmin.xyz
web @ https://argmin.xyz interests: machine learning, ai4science, algorithms, coding member of technical staff @ https://cusp.ai past @ MSR, DeepMind, MPI-IS home @ Heimbach (Gilserberg), Berlin, Europe born @ 353 ppm block toxicity he/him
@tulga-rdn.bsky.social
Mongolian, machine-learned interatomic potentials and cellular biophysics
@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.
@sharvaree.bsky.social
PhD student at @amlab.bsky.social Geometric deep learning + Generative modeling. 🇳🇱🇺🇸🇮🇳 Organizer @gram-org.bsky.social workshop 📍 Amsterdam/SF
@geoffhutchison.net
Chemist, Scientist, Husband, Dad, Runner, Teacher. I develop Avogadro + OpenBabel to find new materials for energy applications @Pitt_Chemistry he/him
@zwijcompchem.bsky.social
Engineer pretending to be a Computational Chemist working on how light and stuff interact at University College London - husband of @jelfschem.bsky.social - all views are my own 🇳🇱🇪🇺🇬🇧
@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
@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
@omidshy.bsky.social
computational chemist • postdoc @unipaderborn.bsky.social • accelerating ab-initio simulations with machine learning "The purpose of computing is insight, not numbers."
@guillemsimeon.bsky.social
(He/him) Physicist. Machine learning and atoms @ Microsoft Quantum. 🏳️🌈
@chengbingqing.bsky.social
Computational Materials Science. Assistant Professor at UC Berkeley.
@aronwalsh.github.io
Virtual Chemist; Professor #ImperialCollege; Editor #JACS; Liúdramán; Personal Opinions; He/Him
@labcosmo.bsky.social
Computational Science and Modelling of materials and molecules at the atomic-scale, with machine learning.
@jnigam.bsky.social
Postdoc @mitofficial.bsky.social, curious physicist unraveling the unknown #openscience👩🔬📚 Prev: @labcosmo.bsky.social EPFL
@jakubmartinka.bsky.social
Ph.D. candidate | Excited about excited states and ⟨QCh|ML⟩ | @heyrovskeho-ustav.bsky.social & @sciencecharles.bsky.social in Prague | https://jakubmartinka.github.io/ | @zeptejsevedce.bsky.social
@bogojeski.bsky.social
Machine learning researcher @ D. E. Shaw Research working on ML for quantum chemistry and drug discovery. Big fan of TTRPGs and bouldering.
@thorbenfrank.bsky.social
PhD Student @ TU Berlin @BIFOLD Berlin | ML for molecular simulation
@stemartiniani.bsky.social
Asst. Professor of Physics, Chemistry, Mathematics, Neural Science at NYU | Simons Foundation Faculty Fellow | Open Science http://colabfit.org martinianilab.org
@jan.hermann.name
Computational chemistry & physics, electrons, deep learning 🚲☕️♟️ Microsoft Research AI for Science · https://jan.hermann.name
@adrhill.bsky.social
PhD student at @bifold.berlin, Machine Learning Group, TU Berlin. Automatic Differentiation, Explainable AI and #JuliaLang. Open source person: adrianhill.de/projects
@gdalle.bsky.social
Researcher in machine learning and optimization. Open source enthusiast. Parody songwriter (aka PianoHamster). OCD survivor.
@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
@machinelearning.bsky.social
Interesting ML (machine learning) news, insights, learning opportunities, and more
@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.