mat-qha-thermal-expansion
Calculate Quasi-Harmonic Approximation (QHA) thermal properties using MLIPs.
132 repo starsObserved in 1 repos
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Research skills
Browse reusable Agent Skills, each with a clear purpose and practical guidance.
mat-reaction-network
Predict thermodynamically optimal solid-state inorganic synthesis pathways and tabulates basic reactions.
132 repo starsObserved in 1 repos
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mat-structure-novelty
Determine if a given structure matches known experimental or theoretical structures, or compare two user-provided structures.
132 repo starsObserved in 1 repos
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mat-synthesis-recommendation
Query and rank synthesis recipes from Materials Project's text-mined literature database with precursors, procedures, and journal references.
132 repo starsObserved in 1 repos
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mat-xrd-calculator
Calculate the X-ray Diffraction (XRD) spectrum of a material using pymatgen.
132 repo starsObserved in 1 repos
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mat-xrd-phase-analysis
Phase identification from experimental XRD using DARA's tree search (Ray-based).
132 repo starsObserved in 1 repos
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Methodology Review
Review research method quality, source diversity, bias, and conclusion strength.
132 repo starsObserved in 1 repos
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ml-bayesian-optimization
Iteratively optimize expensive black-box objectives — such as materials properties, experimental yields, or simulation outputs — by learning from past evaluations to select the most promising next candidates.
132 repo starsObserved in 1 repos
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neqsim-literature-search
Literature and web research workflow for NeqSim engineering tasks. USE WHEN: a task needs related papers, standards, textbook data, benchmark/reference data, or background information gathered from the open web and paper sources, then stored and summarized so it is reusable and distributable. Stores papers under references/literature/, saved web pages/extracts under references/web/, writes a structured literature_findings.md (claims + citations + relevance), and feeds the distributable references/SOURCES.md.
132 repo starsObserved in 1 repos
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neqsim-physics-explanations
Physics explanations for common NeqSim results. USE WHEN: users ask 'why' about simulation results, when explaining unexpected behavior, or when adding educational context to notebooks and reports. Maps common engineering phenomena to plain-language explanations.
132 repo starsObserved in 1 repos
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