Theoretical chemist. Research interests in optimisation (basis sets) and using AI/ML in sustainable chemistry
Teaching interests in digital chemistry and active learning
(He/Him) Postdoctoral computational chemist interested in metal-metal bonding, inorganic aromaticity, f-elements, and superheavies. Passionate about inorganic/organometallic chemical education and increasing accessibility. #compchem #radiochem
#HPC | #CompChem | Applied Math
Principal SWE @ Microsoft Quantum
ex-LBNL, PhD @ UW
Thoughts are my own.
Application Expert at PDC @KTH Working on the interoperability of #compchem tools. Active developer of @veloxchem.bsky.social and @viamd.bsky.social
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
Lecturer (Assistant Prof) in Chemistry at the University of Manchester, using computers to look at organic conjugated stuff
🇪🇸
Chemist • Professor at University of Vienna • Theoretical chemistry, quantum chemistry, excited-state dynamics •
Home of SHARC 🦈
Senior Editor of ACS Central Science •
Board of Directors, Cluster of Excellence MECS ☀️
She/her/wife/Mom of 2
Institut national de #physique #nucléaire et de physique des #particules du CNRS (@cnrs.fr)
#astroparticules #accélérateurs
@CNRS_IN2P3 sur Twitter
Organisme public 🇫🇷 de recherche pluridisciplinaire, le Centre national de la recherche scientifique c'est 33 000 personnes qui font avancer la connaissance. #HelloESR
Acteur majeur de la recherche 🇫🇷 et 🇪🇺
Apporte des solutions technologiques concrètes 💪
#Énergie #Climat #Numérique #Santé #Défense #Sécurité
GENCI (Grand Équipement National de Calcul Intensif) est une grande infrastructure de recherche, opérateur public visant à démocratiser l’usage de la simulation numérique par le calcul haute performance associé à l’IA et au calcul quantique
🇪🇺 Research network within the EU COST Association. From new-generation materials to the stars: we study COnfined molecular SYstems (COSY). ⚛️🌌
https://www.cost.eu/actions/CA21101/
https://cost-cosy.eu/
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 Theoretical Chemistry & Modeling Group, Université Paris Cité upcite.bsky.social, ITODYS @itodys.bsky.social, CNRS @cnrs.fr
EuroHPC flagship supercomputer at CSC's data center in collaboration with the LUMI consortium 🇫🇮 🇧🇪 🇨🇭 🇨🇿 🇩🇰 🇪🇪 🇮🇸 🇳🇱 🇳🇴 🇵🇱 🇸🇪. #lumisupercomputer www.lumi-supercomputer.eu
VeloxChem is a Python-based open source quantum chemistry software developed for the calculation of molecular properties and simulation of spectroscopies.
Doing quantum chemistry at @p_lodz_pl
Strong electron correlation with Bethe Ansatz wavefunctions
Parody quantum computing startup from South London
https://dulwichquantum.github.io/
Senior director of machine learning @ Terray Therapeutics (https://www.terraytx.com/). Father. NSF CAREER award giver-upper. Gibe and gambol enjoyer. Refugee from https://x.com/j0hnparkhill. http://bbgky.net
Computational/Theoretical/Mathematical Chemistry | Electrons | Density Functional Theory | presently at Microsoft Research AI for Science
Researcher and Software Engineer (Theoretical Chemistry, #CompChem, #ChemSky).
Currently: @microsoft.com Quantum 🇩🇰. Formerly: Post-Doc @ethzurich.bsky.social 🇨🇭, PhD @uni-muenster.de 🇩🇪.
Quantum Chemist - @CNRS Researcher - Institut de Chimie Radicalaire - Aix-Marseille University
Theoretical Chemistry Laboratory at UPV-EHU
Donostia - San Sebastián
http://www.ehu.es/chemistry/theory
Promoting fundamental research on advanced computational methods
Research Institute at University of Groningen, The Netherlands.
Erasmus Mundus Joint Masters in Theoretical Chemistry and Computational Modelling
https://www.emtccm.org/
Quantum Dynamics, Ultrafast Spectroscopy Simulations, Computational Chemistry, Theoretical Physics
computationalspectroscopy.eu
#CompChem #RadioChem Associate Professor at the University of Iowa. ICIQ alumni.
Quantum chemist at Cardiff
Associate Professor in Theoretical Chemistry at the Norwegian University of Science and Technology (NTNU)
Official home for the #Chemistry community #RealTimeChem (part of #ChemSky). Connecting chemists (on the old place since 2012. Curated by @doctorgalactic.bsky.social.
Join in by sharing chemistry using #RealTimeChem.
Development and application of efficient computational chemistry methods - based @unibonn.bsky.social.
This account is managed by group members of Prof. Stefan Grimme.
This is the BlueSky presence of the FHI-aims electronic structure code - https://fhi-aims.org/ . FHI-aims is a community-based electronic structure code for materials and molecules, efficient, all-electron, up to very large systems.
Computational Chemist. Molecular Chemistry. University of Münster. Cyclist 🚴🏻♂️
Computational Chemist. 🦀🐍 Scientist at BAM
+ Professor FSU Jena. Only private opinions here.
Last name: German pronunciation. 🏳️🌈 she/they (sie).
@JaGeo on github
▪️P @icreacommunity.bsky.social & UdG Prof TheoChem
▪️S @spinstatepapers.bsky.social
▪️F @rsc.org
▪️M @acad-euro.bsky.social
▪️E @ica-papers.bsky.social
▪️ORCID: https://orcid.org/0000-0002-8174-8488
▪️🇳🇱 Views my own
▪️Pronouns: he/him/his
▪️Web: @marcelswart.eu
25 years of #Powering Discoveries. Home to the National Science Foundation Leadership-Class Computing Facility. Learn more: https://tacc.utexas.edu/
Assoc. prof. in #compchem at DTU (🇩🇰) -- Previously: Bristol Uni (🇬🇧) & Uni Mainz (🇩🇪). Member of @theyoungacademydk.bsky.social (🇩🇰, 2022-27).
#CompChem #Radiochem at the University of Iowa. Loves cats and avoiding the news. UMN Alum. Former Air National Guard member.
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)
The reason why the sky is blue is #quantum. The reason why it is sometimes pink is sunsets. #theochem #xai #qubits #quovadis
Most sunsets observed in #Fredericton 🍁
https://deprincelab.github.io/
Computational chemist at the University of Copenhagen #compchem
Ab initio materials simulations at Duke University. Associate professor, Duke MEMS & Chemistry. https://aims.pratt.duke.edu/ . Opinions my own. Unlike the shirt on the right side of the profile image, which is not my own. The number on the shirt is 10.
Theoretical chemist | Transforming microscopic worlds into creative adventures | 🧪 Bridging science, art, and imagination | Exploring the fascinating narratives hidden in molecules
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
Andreas Köhn's research group at the University of Stuttgart
develops quantum chemical methods (in particular in coupled-cluster theory) and investigates open-shell systems; we also love scientific visualization in augmented reality
Computational Chemistry Research Group at the University of Pisa, Italy https://molecolab.dcci.unipi.it/
CNRS senior research at the Laboratoire de Chimie et Physique Quantiques in Toulouse (France) interested in electronic structure theory & excited states
Postdoctoral researcher @LCPQ
Theoretical Chemist #compchem
https://drmarm314.wordpress.com/2019/03/26/index/
ChemShell is a computational chemistry environment for multiscale QM/MM modelling developed at STFC Daresbury Laboratory and collaborating groups around the world.
Website: chemshell.org
Q-Chem provides a comprehensive ab initio quantum chemistry program, allowing scientists worldwide to model chemical problems quickly and accurately.
http://q-chem.com/
CNRS researcher in theoretical and computational chemistry
PhLAM institute @univlille.bsky.social
Professor for Theoretical Chemistry at TU Braunschweig
http://www.christophjacob.eu
theoretical chemist turned research software engineer - CodeRefinery, open science, research, software, data, computing, teaching, oceanography, computational geometry, baking, occasional 8-bit stuff - he/him
We teach all the essential tools which are usually skipped in academic education so everyone can make full use of software, computing, and data with focus on reusability, reproducibility, and openness.
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
theoretical chemistry. molecular physics. and (mostly) some other stuff.
official Bluesky account (check username👆)
Bugs, feature requests, feedback: support@bsky.app
