Litcius/Paper detail

Machine learning surrogates for molecular dynamics simulations of soft materials

JCS Kadupitiya, Fanbo Sun, Geoffrey Fox, Vikram Jadhao

2020Journal of Computational Science51 citationsDOI

Topics & Concepts

Molecular dynamicsComputer scienceSoft matterArtificial neural networkInferenceArtificial intelligenceBiological systemMachine learningChemistryComputational chemistryPhysical chemistryColloidBiologyMachine Learning in Materials ScienceNanopore and Nanochannel Transport StudiesBlock Copolymer Self-Assembly
Machine learning surrogates for molecular dynamics simulations of soft materials | Litcius