QuickMDSim

- Simple Tools for Molecular Dynamics

[QuickMDSim @quickmdsim]

@RaminNasibov Would definitely put a dent in the portfolio

[QuickMDSim @quickmdsim]

@rohanpaul_ai Feels very different 4 months later!

[QuickMDSim @quickmdsim]

@aditimerch Critical that research tooling becomes accessible through MCP, will enable so many powerful workflows

[QuickMDSim @quickmdsim]

@mhaklidir @claudeai @eric_kabrams Its going to be important for simulation tools and other research software to support the right protocols and be plug-and-play to maximize AI potential

[QuickMDSim @quickmdsim]

Kokkos GPU now available on Pro plans.

[QuickMDSim @quickmdsim]

@ZhengyangG51844 Frequently there are large datasets and non-trivial compute cost required. So knowing how hard it is to reproduce is interesting

[QuickMDSim @quickmdsim]

@HPCwire More and more will be possible to simulate - LLMs can help us keep track of the results

[Claude @claudeai]

Starting today, 10,000 scientists across every field, from math to chemistry to physics and more, can get Claude through our new Claude Team plan for scientists. Standard seats are free, and premium seats with 5x usage limits are $15 per month, an 80% discount, for one year.

Claude is becoming increasingly capable of scientific work, with recent progress on problems from advanced physics calculations to protein design. Alongside that progress, we've been investing in the research community: Claude Science launched in June, and our AI for Science program funds high-impact projects with free credits. Today's expansion builds on both.

Principal investigators (or equivalent) at academic and nonprofit research institutions can sign up, then add the researchers in their group. Over the coming months, we plan to extend the program well beyond the initial 10,000 seats.

Learn more: https://t.co/RTG1JxWi4Q

[QuickMDSim @quickmdsim]

Tonight - going to start looking at "big compute" options. Either get a Kokkos/GPU set up or an efficient multi-CPU environment. May also streamline the editor a bit

[QuickMDSim @quickmdsim]

An FCC lattice heated through melting — thermal defects seeding disordering. Same job, run in the browser instead of waiting on computer or setup.

[QuickMDSim @quickmdsim]

Turned quickmdsim into an mcp and had Hermes make this cool viz of graphene tearing

[QuickMDSim @quickmdsim]

@rbranson grug on the left is using eks and the wizard is using serverless

[QuickMDSim @quickmdsim]

@elder_plinius This doesn't seem like a good mechanism and its hard to imagine how it wouldn't degrade the quality of output

[QuickMDSim @quickmdsim]

@Hesamation It’s free after you pay $5k for the hardware (except energy, maintenance, space…)

[QuickMDSim @quickmdsim]

New to LAMMPS or just need compute and everything already set up? Start free with a seed of CPU-hours, enough for real first runs.

[QuickMDSim @quickmdsim]

Current coding stack:
* Hermes agent
* Grok 4.6 for hard / Deepseek 0813 for easy
* Cloudflare

[QuickMDSim @quickmdsim]

https://t.co/X7hz2bDgM7

[QuickMDSim @quickmdsim]

Stop waiting on the cluster just to test an input. Submit when you're ready, track status live, grab the log when it's done. No PI ticket required.

[QuickMDSim @quickmdsim]

@newscientist One of the greats