CEMP
Run computations
Submit QC, MD, redox, binding-energy, pKa/pKb, and polymer simulation workflows through one task system.
Research infrastructure for clean energy materials
Databases, AI models, Tools and Agents for Clean Energy Materials
CEMP unifies high-throughput quantum chemistry, molecular dynamics, searchable materials databases, machine-learning prediction, and an AI Agent for reproducible research workflows.
939
registered users
2574
successful tasks
205219
database files
QC/MD
workflow engines
CEMP platform functions
Explore databases, prediction tools, visualization, and online computation in one platform.
CEMP connects searchable materials records, property prediction models, visual analysis, and QC/MD workflows for clean-energy materials research.
Start with the CEMP module that matches your research task.
Access online computation, materials exploration, battery analysis, and AI-assisted support from the main research entry points.
Explore materials
Explore ionic liquids, polymers, and crystals for property search, structure-property analysis, and property prediction.
Battery Manage System
Analyze battery testing data, visualize cycling behavior, identify aging patterns, and predict short- or long-term performance.
Platform capabilities organized for clean-energy materials research.
CEMP combines high-throughput computation, curated materials data, predictive models, and AI assistance for reproducible discovery workflows.
Compute
Quantum chemistry workflows
Gaussian and ORCA task generation, remote execution, correction, extraction, and result download.
Compute
Molecular dynamics workflows
Polymer and small-molecule simulation setup, charge mapping, topology creation, and post-analysis.
Data
Materials exploration and prediction
Unified access to ionic liquids, polymers, crystals, computed records, prediction tools, and downloadable datasets.
AI
Prediction and assistance
Property models, battery management models, workflow guidance, and Agent-assisted task support.
1
Define material
Draw, upload, or select a molecule, polymer repeat unit, ionic liquid, or crystal.
2
Select workflow
Choose QC, MD, descriptor extraction, redox, binding energy, pKa/pKb, or BMS analysis.
3
Dispatch compute
Submit to the CEMP remote queue and follow task state from submission to completion.
4
Inspect results
Review logs, figures, structured outputs, downloadable files, and task provenance.
5
Reuse data
Feed descriptors and results back into database search, model prediction, and screening.
Materials and research modules
Explore CEMP materials and battery research modules.
Ionic liquids, polymers, crystals, and battery management are first-class CEMP modules. Each module provides searchable records, prediction tools, and downstream workflows for clean-energy materials research.
Ionic liquids
Search cation/anion structures and physicochemical properties, then use prediction tools for green electrolyte discovery.
Polymers
Explore experimental records, repeat-unit construction, topology generation, and polymer property prediction workflows.
Crystals
Inspect crystal structures, elements, space groups, and prediction-ready descriptors for inorganic energy materials.
Battery Manage System
Use battery datasets, aging curves, EIS, pattern recognition, and lifecycle prediction to support battery management research.
Track platform activity and data growth.
CEMP reports cumulative successful tasks and database growth to make platform usage and data coverage transparent.
Successful ComputeTasks
Quarterly cumulative database growth
CEMP platform paper is now published on arXiv.
“CEMP: A platform unifying high-throughput online calculation, databases, and predictive models for clean energy materials”
