# Quantum-Accurate Molecular Dynamics Potential for Tungsten

## TL;DR

This paper introduces a new spectral neighbor analysis potential for tungsten that accurately models elastic and defect properties, supporting molecular dynamics simulations relevant to fusion reactor materials.

## Contribution

The paper presents a novel spectral neighbor analysis potential for tungsten, optimized via genetic algorithms, enabling accurate defect and elastic property simulations.

## Key findings

- Accurately models elastic and defect properties of tungsten
- Supports simulations of W-He binary system
- Efficient parameter optimization using genetic algorithms

## Abstract

The purpose of this short contribution is to report on the development of a Spectral Neighbor Analysis Potential (SNAP) for tungsten. We have focused on the characterization of elastic and defect properties of the pure material in order to support molecular dynamics simulations of plasma-facing materials in fusion reactors. A parallel genetic algorithm approach was used to efficiently search for fitting parameters optimized against a large number of objective functions. In addition, we have shown that this many-body tungsten potential can be used in conjunction with a simple helium pair potential to produce accurate defect formation energies for the W-He binary system.