fl-sean03
- 34 skills
- 0 followers
- 10 hours ago last updated
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- ▌ Powerpoint Builder · fl-sean03 bundlePowerPoint, PPTX, presentation, slides, deck, python-pptx, create presentation, build deck
- ▌ Voice Transcription · fl-sean03 bundleTranscribe audio files (voice memos, recordings) to text using OpenAI Whisper API or local transcription
- ▌ Native Tools · fl-sean03GitHub CLI, docker commands, git operations, curl, native CLI tools, gh issue, gh pr, container, repository, API calls (project)
- ▌ Overleaf Sync · fl-sean03Sync local LaTeX projects with Overleaf. Bidirectional sync for .tex, .bib, images, folders. Use when pushing local changes to Overleaf, pulling updates, or checking sync status.
- ▌ Twitter Agent · fl-sean03Twitter, tweet, timeline, mentions, X, social media, feed, engagement, replies, drafts, scoring (project)
- ▌ Knowledge Base · fl-sean03fact, decision, architecture, knowledge, permanent, remember forever, always know, decisions, outcomes, lessons learned
- ▌ Task Delegation · fl-sean03Delegate long-running tasks to background processing using native subagents or the legacy worker pattern. Use when operations will take more than 30 seconds, involve multi-step workflows, or require extended processing like transcription, bulk file processing, or complex document creation.
- ▌ Brief Generation · fl-sean03brief, summary, daily, weekly, end of day, EOD, digest, morning, recap, meeting prep, what's due, status update, review
- ▌ Email Processing · fl-sean03Email, inbox, Outlook, Microsoft 365, mail, messages, fetch emails, search emails, draft, reply, email processing (project)
- ▌ Self Improvement · fl-sean03PCP's autonomous capability acquisition system - detect, assess, and acquire missing capabilities
- ▌ Vault Operations · fl-sean03capture, remember, store, search, find, tasks, task list, todo, people, projects, vault, relationship, stale, contact, project health, stalled
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- ▌ Browser Automation · fl-sean03Interactive web tasks, browser login, click, scroll, form interaction, authenticated sessions, Playwright MCP (project)
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- ▌ Overleaf Integration · fl-sean03Create and manage Overleaf LaTeX documents. Use when transcribing handwritten work to LaTeX, creating academic documents, homework solutions, problem sets, or any LaTeX/Overleaf operations. Handles PDF/image to LaTeX conversion. Homework transcription workflow.
- ▌ Ggen · fl-sean03Generate candidate crystal structures from a chemical formula and assess their stability using ggen. Use when you need trial structures for a composition with no known experimental structure, or want stability-ranked polymorph candidates before running MD/DFT.
- ▌ Torch Sim · fl-sean03High-throughput batch atomistic simulation with ML potentials on GPU using torch-sim. Use when screening many structures (10+), running batch relaxations/MD where per-structure ASE loops are too slow, or when GPU-parallel MLIP throughput is the bottleneck. For single-system MLIP work, see mlip-simulation.
- ▌ Vast Cloud · fl-sean03 bundleRun jobs on VAST AI cloud GPUs. Use when you need GPU compute immediately without queue times, for short-to-medium jobs (<4 hours), or when HPC is unavailable. Pay-per-hour pricing.
- ▌ Long Compute · fl-sean03Run compute jobs (QE DFT, LAMMPS/MD, MLIP) that may outlive a single agent turn, without parking-and-dying. Use whenever a task launches work that could take more than a few minutes — decide block-vs-detach, detach long jobs durably, keep state in files, and let the asw-loop supervisor re-invoke you across ticks. Read BEFORE launching any simulation whose runtime you are unsure of.
- ▌ Data Analysis · fl-sean03Analyze simulation data and compute properties. Use when asked to parse LAMMPS/QE output, calculate diffusion coefficients, RDF, MSD, energies, or generate plots and visualizations.
- ▌ Iff Parameters · fl-sean03Search, retrieve, compare, and export INTERFACE Force Field (IFF) parameters for molecular dynamics simulations. Use BEFORE searching literature for force field parameters — IFF covers metals, minerals, oxides, clays, and organic interfaces with validated, citation-ready values.
- ▌ Project Update · fl-sean03 bundleGet fully up to date on a project, or build its weekly / PI-meeting update bundle, from INSIDE the project directory. Use when an agent lands cold in a project and needs the current state (open workstreams, what moved, open PI decisions, blockers), or when asked to "build the weekly update", "prep the PI meeting", or "aggregate the relevant files into the update dir". Mines only THIS repo, driven by its own .sync/manifest.yaml. No dependency on LabSync.
- ▌ Mlip Simulation · fl-sean03Run molecular dynamics and materials calculations with ML interatomic potentials (MACE, CHGNet, M3GNet) via ASE — near-DFT accuracy at classical-MD cost. Use when asked to run simulations with ML/universal potentials, or when DFT would be too expensive (or is unavailable) but accuracy matters. For high-throughput screening of 10+ structures, see torch-sim.
- ▌ Compute Strategy · fl-sean03 bundleDecide where and how to run compute jobs across available backends (HPC, cloud GPUs, local). Use when starting any compute-intensive task, choosing a backend or partition, deciding job parameters (walltime, GPU type, parallelism), or debugging compute infrastructure issues. Embeds the smoke-first iteration pattern — validate cheaply before scaling.
- ▌ Quantum Espresso · fl-sean03Run Quantum ESPRESSO DFT calculations. Use when asked to perform first-principles calculations, SCF, structural relaxation, band structure, DOS, phonons, or any ab initio quantum mechanical calculation.
- ▌ Theory Synthesis · fl-sean03Synthesize scientific theories from literature corpora using ASTA Theorizer. Use when asked to generate hypotheses, find research gaps, synthesize knowledge across many papers, or create literature-grounded theories for computational testing.
- ▌ Lammps Simulation · fl-sean03Run LAMMPS molecular dynamics simulations. Use when asked to run MD simulations, energy minimization, equilibration, production runs, or calculate properties like diffusion, RDF, MSD. Supports both CPU and GPU execution.
- ▌ Literature Search · fl-sean03Search and retrieve scientific literature. Use when asked to find papers, research a topic, find citations, get paper abstracts, or conduct literature reviews. Accesses Semantic Scholar, arXiv, and other academic databases.
- ▌ Compute Validation · fl-sean03 bundleValidate that an expensive long-running compute campaign is ready for production. Combines reasoning-based verification (predict failure modes from system analysis + priors, before any compute) with empirical smoke analysis (run a cheap smoke, extract predictive signal, extrapolate to production behavior). Iterate until satisfied. Use before submitting any HPC simulation, ML training run, DFT calculation, or other expensive compute. Composes with compute-strategy (WHERE to run) and campaign-orchestration (HOW to manage long execution).
- ▌ Materials Database · fl-sean03Query materials databases for structures and properties. Use when asked to get crystal structures, material properties, phase diagrams, or thermodynamic data. Primary source is Materials Project, with NIST, PubChem as secondary.
- ▌ Resource Acquisition · fl-sean03Find and acquire computational science resources autonomously. Use when you need force field parameters, pseudopotentials, crystal structures, or any other scientific data. You are a researcher - you find what you need.
- ▌ Campaign Orchestration · fl-sean03 bundleOrchestrate one or more long-running compute campaigns (HPC simulations, multi-stage MD pipelines, ensemble runs) where stages take hours to days and failures must not halt the pipeline. Use when running multiple parallel campaigns that share a stage structure (smoke → equilibration → production → analysis), when waiting on long jobs makes interactive driving impractical, or when designing a self-healing tick-based supervisor for compute work. Reads/writes per-campaign WORKFLOW.md files as durable state.
- ▌ Hpc Cluster · fl-sean03 bundleRun jobs on CU Boulder CURC HPC cluster (Alpine). Use when simulations need more compute than the local workstation, for large-scale parallel jobs, or when GPU resources are needed beyond local availability. You have full SSH access - work like a researcher.