AI-assisted tools for materials research
From atomic structures to experimental insight.
AimatraLab develops practical tools for materials research, characterization, simulation, data analysis and scientific visualization.
Featured tools
A growing collection, built around materials science.
structure
Generate crystal structure descriptions from CIF files online or with the CrystalDesk Windows offline client. The online service uses a hosted Python backend; CrystalDesk processes files locally and requires activation.
Windows version — activation required
utilities
Calculate molar mass and elemental mass contributions from chemical formulas in your browser.
electrochemistry
Analyze electrochemical rate performance in your browser with model fitting, comparison, thickness scaling, characteristic time, transport and energy/power calculations.
electrochemistry
Calculate theoretical specific capacity from a chemical formula and a user-supplied electron-transfer number in your browser.
Released tools are ready to use. Planned tools become available when their first release is published.
Online Lab
Explore structure descriptions, formula and capacity calculators, rate analysis and research skill guides.
Connected by science
Layered structures and the relationship between composition, structure and material properties.
Materials chemistry and characterization in the context of electrochemical energy storage.
Connecting electrochemical measurements with materials behavior and practical data analysis.
Crystal structures, atomic arrangements and the chemistry that connects them.
Density functional theory and computational approaches to understanding materials.
Practical, maintainable software for scientific analysis, visualization and sharing.
The science behind the tools
Founder of AimatraLab
Materials researcher developing practical tools for materials chemistry, electrochemistry and computational materials science.
Meet the founderFrom the lab
Windows x64 (147.7 MiB). Downloads temporarily unavailable.
CrystalDesk Windows offline download is now available alongside the online Crystal Description workspace. Windows use requires manual machine-bound activation.
Molecular weight calculations are available on AimatraLab, with formula parsing and elemental mass results.
Aimatra