MD-GAN with multi-particle input: the machine learning of long-time molecular behavior from short-time MD dataphysics.chem-ph
MD-GAN learns long-time molecular behavior from short-time data with multi-particle input.
problem Accurately predicting long-time molecular dynamics from short-time data.
method Machine learning method (MD-GAN) that incorporates dynamics of multiple particles of molecules.
result Predicting diffusion with one-third of the training data length using multi-particle input.