OMB Individually Reported
Atomistic Force Field Accelerator (ARFFA)
Low riskExact public inventory row
Description
Training of machine learning models of physically informed neural network interatomic force fields for molecular dynamics simulations of material systems of interest at the atomic level
Detailed example
molecular dynamics simulations of material systems of interest at the atomic level
AI / analytics pattern
Classical/Predictive Machine Learning: Models trained on data to make predictions or classifications based on identified patterns or relationships.
Automation level / stage
a) Pre-deployment – The use case is in a development or acquisition status.
Expected benefit
Training of machine learning models of physically informed neural network interatomic force fields for molecular dynamics simulations of material systems of interest at the atomic level
Controls / human review
ATO: Not reported; PIA: Not published