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Refactor README
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README.md

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## Overview
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MISPR is a free, open-source software for executing, managing, and storing computational materials science simulations. Features of MISPR include:
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- Predicts various materials properties through pre-defined workflows
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- Integrates density functional theory (DFT) and molecular dynamics (MD) simulations seamlessly
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- Processes, analyzes, and visualizes simulation results with built-in utilities
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- Handles errors automatically using recipe-like fixes
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- Builds and manages computational databases in MongoDB backend for easy querying, analysis, and sharing
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- Supports multiple queuing systems via FireWorks including SLURM, PBS, SGE, etc.
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- Scales architecture to handle computations from individual materials to thousands of compounds
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- Modifies and chains workflows together flexibly
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- Leverages open-source libraries including [pymatgen][pymatgen], [custodian][custodian], and [FireWorks][fireworks]
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MISPR is a free, open-source software for executing, managing, and storing computational materials science simulations. It can:
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- Predict various materials properties through pre-defined workflows
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- Integrate density functional theory (DFT) and molecular dynamics (MD) simulations seamlessly
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- Process, analyze, and visualize simulation results with built-in utilities
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- Handle errors automatically using recipe-like fixes
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- Build and manage computational databases in MongoDB backend for easy querying, analysis, and sharing
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- Support multiple queuing systems via FireWorks including SLURM, PBS, SGE, etc.
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- Scale architecture to handle computations from individual materials to thousands of compounds
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- Modify and chain workflows together flexibly
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- Leverage open-source libraries including [pymatgen][pymatgen], [custodian][custodian], and [FireWorks][fireworks]
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## Workflows
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