Now showing items 11-13 of 13
Assessment of van der Waals inclusive density functional theory methods for layered electroactive materials
Computational-driven materials discovery requires efficient and accurate methods. Density functional theory (DFT) meets these two requirements for many classes of materials. However, DFT-based methods have limitations. One ...
The JBEI quantitative metabolic modeling library (jQMM): a python library for modeling microbial metabolism
Modeling of microbial metabolism is a topic of growing importance in biotechnology. Mathematical modeling helps provide a mechanistic understanding for the studied process, separating the main drivers from the circumstantial ...