vasp
Expert assistant for VASP (Vienna Ab initio Simulation Package) calculations - input file generation, parameter selection, workflow setup, and best practices for accurate DFT calculations
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Expert assistant for VASP (Vienna Ab initio Simulation Package) calculations - input file generation, parameter selection, workflow setup, and best practices for accurate DFT calculations
Opentrons Thermocycler Module - automated PCR thermal cycling with independent block (4-99°C) and lid (37-110°C) temperature control, profile execution, and auto-sealing lid support (GEN2) for high-throughput m...
Expert guidance for pycalphad - computational thermodynamics library implementing the CALPHAD method for calculating phase diagrams, phase equilibria, and thermodynamic properties of multicomponent materials sy...
Test-Driven Development facilitation using the red-green-refactor cycle. Guides users through writing tests first, implementing minimal code to pass, and refactoring for quality. Use when users want to practice...
Structured planning and project breakdown using proven methodologies for goals, projects, and strategic initiatives. Use when users need to create plans, break down complex projects, set milestones, estimate ti...
Opentrons Heater-Shaker Module - temperature control (37-95°C) with orbital mixing (200-3000 rpm) for cell culture, enzymatic reactions, and sample preparation requiring simultaneous heating and agitation
Systematic debugging and problem diagnosis using structured troubleshooting methodologies applicable to any domain - technical issues, process failures, system problems, or general obstacles. Use when users rep...
Expert guidance for regression analysis, statistical modeling, and outlier detection in Python using statsmodels, scikit-learn, scipy, and PyOD - includes model diagnostics, assumption checking, robust methods,...
Opentrons Temperature Module - precise heating and cooling (4-95°C) for sample storage, enzyme reactions, and temperature-sensitive protocols with aluminum block adapters for plates, tubes, and PCR strips
Expert assistance with the Atomic Simulation Environment (ASE) Python library for atomistic simulations, including structure building, calculator setup, optimization, dynamics, and analysis
Conduct systematic scientific literature reviews by integrating multi-source searches, iterative analysis, and synthesis into well-structured reports with proper citations. Use this skill when you need to: syn...
AI-powered audio generation using ElevenLabs API - text-to-speech with lifelike voices, sound effects generation, and music creation from text descriptions. Generate natural-sounding speech in 32 languages, cre...
Expert guidance for Design of Experiments (DOE) in Python - interactive goal-driven design selection, classical DOE (factorial, response surface, screening), Bayesian optimization with Gaussian processes, model...
Expert assistant for accessing materials databases (AFLOW and Materials Project) - query crystal structures, materials properties, thermodynamic data, and computational results from comprehensive databases
Structured brainstorming and ideation facilitation using proven creativity techniques. Use when users want to generate ideas, explore solutions, break through creative blocks, or need facilitated ideation sessi...
Expert assistant for calculating materials properties from first-principles using ASE - structure relaxation, surface energies, adsorption, reaction barriers, phonons, elastic constants, and thermodynamic model...
Expert assistant for choosing and implementing scientific workflow tools - from simple joblib caching to complex orchestration with Prefect, Parsl, FireWorks, and quacc. Recommends the simplest solution that me...
Comprehensive guidance for using IDAES (Institute for the Design of Advanced Energy Systems) for process systems engineering. Covers flowsheet modeling, property packages, unit models, optimization, scaling, in...
Use when performing regression analysis with confidence intervals, solving ODEs, fitting models to experimental data, or caching expensive scientific computations - provides convenient wrappers around scipy tha...
Expert guidance for writing professional Emacs Lisp code following the community-driven Emacs Lisp Style Guide by Bozhidar Batsov. Covers layout, naming conventions, syntax preferences, macros, documentation, a...
Opentrons Absorbance Plate Reader Module for Flex - on-deck microplate spectrophotometry with single/multi-wavelength reading (450, 562, 600, 650nm), automated lid control, and CSV data export for ELISA, cell g...
Comprehensive guidance for using pymatgen (Python Materials Genomics) for computational materials science. Covers structure creation and manipulation, file I/O (CIF, POSCAR, XYZ), symmetry analysis, Materials P...
Expert guidance for JAX (Just After eXecution) - high-performance numerical computing with automatic differentiation, JIT compilation, vectorization, and GPU/TPU acceleration; includes transformations (grad, ji...
Create coherent video story sequences with AI-generated images and narrated audio. Combines image-generation and elevenlabs skills to produce complete video stories with visual and narrative consistency across...
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