# Computational Chemistry

> Computational chemistry uses theoretical methods and computer simulation to predict molecular structures, reaction pathways, and material properties. Increasingly fused with machine learning, it accelerates drug design, catalysis, and the discovery of new materials.

*Source: [https://selltoscientists.com/fields/computational-chemistry/](https://selltoscientists.com/fields/computational-chemistry/)*

**Researcher count:** 27,000
**Average funding:** $390K

## Subfields

- Quantum Chemistry
- Molecular Dynamics
- Density Functional Theory
- Cheminformatics
- Machine Learning Potentials

## Key technologies

- DFT Codes
- Molecular Dynamics Engines
- GPU Acceleration
- Neural Network Potentials
- High-Performance Computing

## Top institutions

- MIT
- ETH Zurich
- University of California, Berkeley
- Peking University
- EPFL