VIAMD
VIAMD is an interactive analysis tool for MD. https://github.com/scanberg/viamd. Article: https://pubs.acs.org/doi/10.1021/acs.jcim.3c01033. Wiki: https://github.com/scanberg/viamd/wiki Tutorial playlist: https://bit.ly/4aRsPrh #compchem
@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
@lumi-supercomputer.eu
EuroHPC flagship supercomputer at CSC's data center in collaboration with the LUMI consortium 🇫🇮 🇧🇪 🇨🇭 🇨🇿 🇩🇰 🇪🇪 🇮🇸 🇳🇱 🇳🇴 🇵🇱 🇸🇪. #lumisupercomputer www.lumi-supercomputer.eu
@anthonyc1nash.bsky.social
Computational Chemist. Theoretical Biophysicist (physics-based modelling). Protein Dynamics. Unconventional Computing. Metalloproteases.
@javiercamargo.bsky.social
Mexican computational chemist. FU Berlin. Ambient music enthusiast, big cinephile and excellent cook (according to my hungry self).
@khartab.bsky.social
🇫🇷Theoretical & Computational Chemist ⚛️🧪🖥️🧬| #CompChem | #CompBio | #HPC | #ChemSky | #CompChemSky| #University | #Chemistry | #BioChemistry | #ESR | #URCA | #ComESR | #VeilleESR | #VeilleEN Personal account💻📱 🧐Reposts are reflections, not endorsements🤔
@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
@mathieulinares.bsky.social
Application Expert at PDC @KTH Working on the interoperability of #compchem tools: @gromacs.bsky.social, @veloxchem.bsky.social, @viamd.bsky.social
@marchgarner.bsky.social
Theoretical and computational chemist. Molecular Electronics, MO theory, Hund's rule violations and more. @carlsbergfondet.bsky.social Postdoc at the Technical University of Denmark.
@faccts.de
FACCTs is bringing the ORCA software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries. Visit us at www.faccts.de
@bsky.app
official Bluesky account (check username👆) Bugs, feature requests, feedback: [email protected]