#compchem You can use viamd to read and analyze @veloxchem.bsky.social output file. You can read more about it following this link: github.com/scanberg/via...
07.08.2025 08:17 — 👍 1 🔁 1 💬 0 📌 0
Very nice work! I saw that you are sharing gro file from your simulation in zenodo. Thank you for that. Would you be willing to also share trajectories. We are always trying to find cool and large trajectory to test our software.
02.07.2025 12:02 — 👍 0 🔁 0 💬 1 📌 0
You can now save Ultra HD (8k) resolution screenshot in VIAMD, with or without the GUI. Here illustrated on a visualization of a Moebius ring calculated with @veloxchem.bsky.social. #compchem
01.07.2025 09:44 — 👍 6 🔁 2 💬 0 📌 0
Road trip to #watoc! See you there. #compchem
21.06.2025 13:15 — 👍 3 🔁 3 💬 0 📌 0
See you there. I'll be at the @veloxchem.bsky.social booth. Presenting our QM software as well as @viamd.bsky.social. #WATOC #compchem
18.06.2025 10:11 — 👍 3 🔁 2 💬 0 📌 0
Registration deadline June 15 approaching ....
07.06.2025 17:05 — 👍 2 🔁 6 💬 1 📌 0
Get inside a bacterial cell with this cool combination of @cg-martini.bsky.social and @viamd.bsky.social
Also check out our recent webinars on each:
🎬 Whole cell simulation with Martini ▶️ youtu.be/fvFaPgSoM90
🎬 Visual analysis of #moleculardynamics with VIAMD ▶️ youtu.be/wVENzcx0XmQ
04.06.2025 11:36 — 👍 8 🔁 3 💬 0 📌 1
MA(R/S)TINI 3: An Enhanced Coarse-Grained Force Field for Accurate Modeling of Cyclic Peptide Self-Assembly and Membrane Interactions | Journal of Chemical Theory and Computation pubs.acs.org/doi/full/10....
03.06.2025 12:04 — 👍 3 🔁 2 💬 0 📌 0
Interactive visualization of @cg-martini.bsky.social bacterial cell with @viamd.bsky.social. #compchem @gromacs.bsky.social
02.06.2025 13:44 — 👍 9 🔁 2 💬 0 📌 1
In addition to our website veloxchem.org, we are now opening the discussion on github, this is the place to exchange and ask questions about veloxchem (github.com/orgs/VeloxCh...). #compchem
27.05.2025 13:04 — 👍 5 🔁 3 💬 1 📌 0
VeloxChem on LUMI workshop - CSC
This workshop introduces participants to quantum chemistry simulations using VeloxChem on the LUMI supercomputer, with a focus on utilizing the GPU resources on LUMI-G for high-performance electronic ...
Want to know more about Veloxchem and @viamd.bsky.social. Join us for a hands-on workshop and learn how to unlock the power of @lumi-supercomputer.eu for quantum chemistry using VeloxChem! Date and Place: May 26–27, 2025, CSC. Info and registration: csc.fi/en/training-... #compchem
12.05.2025 08:32 — 👍 2 🔁 2 💬 0 📌 0
New course available. Register today!
🔬 Into quantum chemistry + HPC?
Join the VeloxChem on LUMI Workshop — 26–27 May 2025 in Espoo, Finland!
💡 Learn to:
Run VeloxChem via Jupyter
Scale jobs on LUMI's GPUs with Slurm
Analyze results with VIAMD
Info + signup 👉 lumi-supercomputer.eu/events/velox...
lumi-supercomputer.eu/events/velox...
25.04.2025 12:16 — 👍 1 🔁 1 💬 1 📌 1
New feature! You can now visualize trajectories with bond formation and breaking by checking the Recalc Bonds option. #compchem
23.04.2025 09:22 — 👍 1 🔁 1 💬 0 📌 0
YouTube video by mathieu linares
VIAMD - Dynamic Selection and Counting
Learn how to create a dynamic selection and count its component in function of time: youtu.be/VhJyMkgYIkE?.... #compchem
07.04.2025 08:36 — 👍 1 🔁 0 💬 0 📌 0
YouTube video by mathieu linares
VIAMD - Remapping Element and Recentering Trajectory
Learn how to remap element and recenter a trajectory youtu.be/o7KxGW19Qjk?... #compchem
07.04.2025 08:36 — 👍 1 🔁 0 💬 1 📌 0
YouTube video by mathieu linares
VIAMD - Spatial Distribution Function
Learn how to calculate, plot and export spatial distribution function: youtu.be/BDYQEnrhlBQ?... #compchem
07.04.2025 08:36 — 👍 1 🔁 0 💬 1 📌 0
YouTube video by mathieu linares
VIAMD - Properties, Selection, Import/Export and Workspace
Learn about Properties, Selection, Import/Export and Workspace: youtu.be/0w8iPYEVeY8?... #compchem
07.04.2025 08:36 — 👍 1 🔁 0 💬 1 📌 0
YouTube video by mathieu linares
VIAMD - Timeline, Distribution, Visual Feedback and Filtering
Learn how to calculate properties and visualize them in the timeline and distribution window. youtu.be/7bqsg3GFly8?... #compchem
07.04.2025 08:36 — 👍 1 🔁 0 💬 1 📌 0
YouTube video by mathieu linares
VIAMD - Loading Trajectory and Representations
Learn how to load a trajectory and change representations: youtu.be/HlIss8Nhtoc?... #compchem
07.04.2025 08:36 — 👍 1 🔁 0 💬 2 📌 0
YouTube video by mathieu linares
VIAMD - Quick Overview
Hi #compchem people, there is a playlist of tutorial videos for VIAMD available here: www.youtube.com/playlist?lis.... The first one is just a quick overview of the software: youtu.be/7X4pMv1Hf-4?.... Following videos in the thread will describe specific features of VIAMD🧵
07.04.2025 08:36 — 👍 2 🔁 2 💬 1 📌 0
Hi #compchem people of Bluesky. Follow us for updates on our latest developments.
03.04.2025 09:16 — 👍 4 🔁 3 💬 0 📌 0
VeloxChem is a Python-based open source quantum chemistry software developed for the calculation of molecular properties and simulation of spectroscopies.
Scientific Editor, RSC. Views my own.
Background in computational chemistry and education.
Sci-fi, blackgaze, queer horror books, MMOs - including an insistent love of Phantasy Star Online
Multiscale molecular dynamics, biological membranes interactions, CNRS researcher, group leader at @cbitoulouse.bsky.social
CNRS researcher working at the Laboratoire de Biochimie Théorique (LBT), in the Institut de biologie physico chimique (IBPC) in Paris.
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Martini lover.
Shaken, stirred, or self-assembled.
https://cgmartini.nl/
**Quantum & Computational Chemistry
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**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
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Reach out to FJ to transfer this account.
Computational Chemist. Theoretical Biophysicist (physics-based modelling). Protein Dynamics. Unconventional Computing. Metalloproteases.
Computational chemist. Doctoral candidate at FU Berlin.
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🇫🇷Theoretical & Computational Chemist ⚛️🧪🖥️🧬| #CompChem | #CompBio | #HPC | #ChemSky | #CompChemSky| #University | #Chemistry | #BioChemistry | #ESR | #URCA | #ComESR | #VeilleESR | #VeilleEN
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Professor of Chemistry@Universidade de Coimbra. Chemistry, cooking, clarinets, symmetry, music, art, computers and programming all make me tick!
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Application Expert at PDC @KTH Working on the interoperability of #compchem tools. Active developer of @veloxchem.bsky.social and @viamd.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 is bringing the ORCA quantum chemistry software to industry - promoting the next Quantum leaps in the Pharma, Materials and Chemical Industries.
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