Why LiveCoMS matters
| Living Journal of Computational Molecular Science
Here's why we think this is still important today:
livecomsjournal.org/index.php/li...
But we'd love to continue that debate! What do you like about LiveCoMS, what made you publish with us or read an article? Or what can we do better, what is holding you off submitting your first manuscript?
06.10.2025 15:21 β π 2 π 1 π¬ 0 π 0
Since then, we've published six volumes of peer-reviewed living documents, covering perpetually updated reviews, tutorials & software comparisons. Every article has its own GitHub repo for community discussion, and we're starting to publish 2nd versions with important scientific updates.
06.10.2025 15:21 β π 4 π 0 π¬ 1 π 0
Is the staggeringly profitable business of scientific publishing bad for science?
The long read: It is an industry like no other, with profit margins to rival Google β and it was created by one of Britainβs most notorious tycoons: Robert Maxwell
"Scientists are well aware that they seem to be getting a bad deal." www.theguardian.com/science/2017...
8 years ago, in response to this article, we wrote about the need for LiveCoMS, a diamond open access journal with no charge for submissions or for libraries: livecomsjournal.org/index.php/li...
06.10.2025 15:21 β π 3 π 1 π¬ 1 π 0
π’ New software tutorial alert!
Gravelle et al introduce a suite of tutorials for new users of the LAMMPS simulation package, including molecular simulation basics, reactive force fields, GCMC and enhanced sampling #compchem
doi.org/10.33011/liv...
02.10.2025 14:35 β π 8 π 3 π¬ 1 π 0
Tutorials and Training Articles
| Living Journal of Computational Molecular Science
Hi, we have a few relevant tutorials out recently including MD with e.g. gromacs, gromos and biosimspace: livecomsjournal.org/index.php/li...
02.10.2025 06:12 β π 3 π 0 π¬ 0 π 0
GitHub - biomos/gromos_tutorial_livecoms: Advanced tutorial for the GROMOS software for biomolecular simulation
Advanced tutorial for the GROMOS software for biomolecular simulation - biomos/gromos_tutorial_livecoms
This is version 2 of this tutorial article, illustrating our 'living document' approach to publishing in which works are regularly updated on Github with community input. As ever, you can comment on this article here: github.com/biomos/gromo...
30.09.2025 17:06 β π 3 π 0 π¬ 0 π 0
Interested in biomolecular simulation?
The latest article by Lier et al describes advanced tutorials for the GROMOS software, including free energy calculations, enhanced sampling and neural network potentials with SchNetPack! #compchem
livecomsjournal.org/index.php/li...
30.09.2025 17:06 β π 7 π 2 π¬ 1 π 1
The latest @livecomsjournal.bsky.social tutorial "Molecular Dynamics: From Basics to Application" by Vollmers, Chen et al is out now! doi.org/10.33011/liv...
It includes comprehensive MD tutorials in GROMACS, covering forcefields, thermodynamic ensembles, long-range electrostatics and much more!
09.09.2025 12:19 β π 28 π 9 π¬ 1 π 1
Interested in solvation free energies of small molecules and proteins?
The latest @livecomsjournal.bsky.social tutorial by Egger-Hoerschinger et al provides a guide to quantifying hydration thermodynamics using Grid Inhomogeneous Solvation Theory (GIST):
doi.org/10.33011/liv...
#compchem
14.08.2025 16:44 β π 10 π 3 π¬ 1 π 0
Table of contents figure
Our latest Best Practices article "Developing Monte Carlo Methodologies in Molecular Simulations" is out now and describes how to derive acceptance probabilities for a variety of Monte Carlo moves:
doi.org/10.33011/liv...
#compchem
11.08.2025 18:32 β π 15 π 8 π¬ 1 π 0
GitHub - Lemkul-Lab/gamd_livecoms_tutorial
Contribute to Lemkul-Lab/gamd_livecoms_tutorial development by creating an account on GitHub.
As always, if you have any comments or questions on the paper, you're encouraged to engage with the paper's Github repository: github.com/Lemkul-Lab/g...
12.07.2025 19:55 β π 1 π 0 π¬ 0 π 0
Interested in enhanced sampling for molecular dynamics simulations? Check out the latest LiveCoMS tutorial on Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD:
livecomsjournal.org/index.php/li...
#compchem
12.07.2025 19:55 β π 14 π 5 π¬ 2 π 0
Running Gaussian-accelerated Molecular Dynamics Simulations in NAMD [Article v1.0]
| Living Journal of Computational Molecular Science
Happy to announce our latest article, a tutorial on running Gaussian-accelerated MD simulations in NAMD. Tour de force work by @hmmichel.bsky.social with @mdpoleto.bsky.social that unifies theory and practice in one place!
livecomsjournal.org/index.php/li...
12.07.2025 17:37 β π 14 π 5 π¬ 0 π 0
In the London heat, dreaming of a chemistry journal where articles evolve (living, versionable, open). Has anyone tried F1000? I am curious what the experience is like #OpenScience #ChemSky
21.06.2025 19:17 β π 12 π 1 π¬ 1 π 0
That's right - all articles are diamond open access and can be regularly updated!
21.06.2025 19:28 β π 4 π 0 π¬ 0 π 0
LiveCoMS monthly PDF downloads from our current hosting site, where we moved in late 2021
Do LiveCoMS articles make a mark? Check out our new blog post on our download & viewing statistics. Weβre excited to see LiveCoMS is having an impact and large numbers of people find our work valuable! livecomsjournal.org/index.php/li...
25.03.2025 21:32 β π 4 π 2 π¬ 0 π 0
Why LiveCoMS matters
| Living Journal of Computational Molecular Science
The Living Journal of Computational Molecular Science (LiveCoMS) is on BlueSky! Check out our recent blog post on why @livecomsjournal.bsky.social matters to find out more about us: livecomsjournal.org/index.php/li... #compchem #chemsky
30.01.2025 21:11 β π 21 π 9 π¬ 0 π 0
Virtual Chemist; LiΓΊdramΓ‘n; Personal Opinions
Promoting fundamental research on advanced computational methods
Computational chemist at the Institute for Molecular Modeling and Simulation at BOKU in Vienna.
Senior lecturer in Computational Biophysics @ University of Edinburgh molecular simulations, machine learning and baking enthusiasts. Occasional mathematics outreach
Professor, University of Colorado Boulder, molecular modeling and computational infrastructure
We are a computational research group at Newcastle University led by #UKRIFLF Dr Danny Cole specialising in atomistic simulations in medicinal chemistry and biology https://blogs.ncl.ac.uk/danielcole/
official Bluesky account (check usernameπ)
Bugs, feature requests, feedback: support@bsky.app