In this project, Dr. Kubicki will develop estimates of plant cell wall component interaction energies for coarse-grain modeling. Interaction enthalpies are often difficult to obtain experimentally, and density functional theory calculations provide reasonable input estimates for larger scale models. These calculations help inform further studies by providing molecular-level models of short-range structures.
Posting date: Tue, 12/20/2016
Award start date: Mon, 08/01/2016
Award end date: Tue, 07/31/2018
