Understanding cellulose pyrolysis via ab initio deep learning potential field
Yuqin Xiao, Yuxin Yan, Hainam Do, Richard Rankin, Haitao Zhao, Ping Qian, Keke Song, Tao Wu, Cheng Heng Pang
Topics & Concepts
CelluloseAb initioMolecular dynamicsPyrolysisForce field (fiction)Computational chemistryMaterials scienceChemistryBiochemical engineeringComputer scienceOrganic chemistryEngineeringArtificial intelligenceLignin and Wood ChemistryAdvanced Cellulose Research StudiesThermochemical Biomass Conversion Processes