Introduction to EMOS

What is EMOS?

EMOS (Electronic Materials Optimization System) is a comprehensive web-based platform designed for materials scientists and researchers working in electronic materials research. It provides a unified interface to access multiple databases, utilize various generation algorithms, and apply prediction models for materials discovery and optimization.

Key Concepts

Information Units

EMOS is built around three core types of Information Units:

  1. Databases: Access to multiple materials databases including ICSD, COD, OQMD, AFLOWLIB, Materials Project, Alexandria, NOMAD, and JARVIS

  2. Generators: AI-powered materials generation tools including MatterGen, GNoME, iMatGen, MatGAN, MolGAN, and others

  3. Predictors: Property prediction models such as MatterSim, M3GNet, PFP, DeepMD, SynthNN, and eSEN

Features

Features are high-level workflows that combine multiple Information Units to solve specific research problems. They are organized into two main categories:

  1. Materials Exploration: Tools for discovering, generating, and analyzing new materials

  2. Electronics Application: Specialized features for electronic device development and optimization

System Architecture

EMOS follows a modular architecture where:

  • Each Information Unit has a standardized interface

  • Features combine multiple Information Units to solve specific problems

  • The system is designed for easy extension with new components

  • All components follow factory patterns for registration and instantiation

Core Workflow

The typical EMOS workflow follows these steps:

  1. Select a Feature: Choose from Materials Exploration or Electronics Application categories

  2. Configure Information Units: Select which databases, generators, and predictors to use

  3. Provide Inputs: Enter the necessary parameters for your specific use case

  4. Execute and Analyze: Run the feature and analyze the results

Benefits

  • Unified Access: Single interface to multiple tools and databases

  • Modular Design: Easy to extend and customize

  • Comprehensive Coverage: From basic material search to complex device optimization

  • Research-Focused: Designed specifically for materials science workflows

  • Scalable: Can handle both simple queries and complex multi-step workflows