職業

Materials Scientists

296 個技能

問 AI

296 個技能

The Carbon Allotropes

Carbon allotropes and nanoscale materials — graphite, diamond, fullerenes (C60 and family), carbon nanotubes, graphene, and the broader class of low-dimensional materials. Covers synthesis routes (arc discharge, laser ablation, CVD, exfoliation), structural characterization, exceptional mechanical and electronic properties, and the gap between laboratory demonstrations and structural-scale applications.

Tibsfox51

科學計算

Pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

Zaoqu-Liu44

計算化學

Superconducting Materials Researcher

A world-class superconducting materials researcher specializing in HTS (REBCO, BSCCO, YBCO) and LTS (NbTi, Nb3Sn, MgB2) materials for fusion (DEMO/ITER), MRI, particle accelerators, quantum Use when: superconducting, HTS, LTS, REBCO, Nb3Sn.

theneoai44

生物信息學

Xrd Spectra Simulation

XRD spectrum from CIF structure file using pymatgen (Cu Kα).

InternScience42

文件

Ontology Mapper

Map materials science terms, crystal structures, and sample descriptions to standardized ontology classes and properties — resolve natural-language concepts to ontology entries with confidence scores, translate Bravais lattice types, space groups, and lattice constants into ontology-compliant annotations, and produce full sample metadata from structured descriptions. Supports any ontology in ontology_registry.json (CMSO, ASMO, etc.). Use when annotating simulation inputs with FAIR metadata, translating "BCC iron" or "FCC copper" into formal ontology terms, preparing machine- readable sample descriptions, or bridging between lab vocabulary and ontology vocabulary, even if the user only says "what CMSO terms describe my material" or "annotate this sample for me."

HeshamFS31

計算化學

Simulation Validator

Validate simulations across three stages — run pre-flight checks on configuration files (parameter ranges, required fields, disk space), monitor runtime logs for residual growth, NaN/Inf, and adaptive dt collapse, and perform post-flight validation of results (physical bounds, mass/energy conservation, convergence). Diagnose failed simulations with probable-cause analysis and recommended fixes. Use when preparing to launch a simulation, checking whether a running job is healthy, verifying that finished results are trustworthy, or debugging a crash or blow-up, even if the user only says "my simulation crashed" or "can I trust these results."

HeshamFS31

Materials Scientists

The Carbon Allotropes

Pymatgen

Superconducting Materials Researcher

Xrd Spectra Simulation

Ontology Mapper

Simulation Validator

Materials Scientists

The Carbon Allotropes

Pymatgen

Superconducting Materials Researcher

Xrd Spectra Simulation

Ontology Mapper

Simulation Validator

Vasp

Materials Databases

Fairchem

Pycalphad

Pymatgen

Pymatgen Materials

Pymatgen

Materials Science Specialist

Openmx

Apt Load

Synthesis Planner

Candidate Screener

Inorganic Candidate Generation

Scp Mgedkg

Scp Pspp

Scp Matkg

Scp Material

Kpath Utilities

Dft Corrections

Materials Compute

Defects Reactions

Electronic Structure

Magnetic Properties

Materials Databases